USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -0.925! C(o=-0.92!,f=-6!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -154:sc= -0.41 (180deg=-0.825) USER MOD Set 2.2: A 31 THR OG1 : rot 46:sc= 0.41 USER MOD Single : A 9 SER OG : rot 104:sc= 0.257 USER MOD Single : A 10 THR OG1 : rot -53:sc= 0.136 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00675 (180deg=-0.125) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0232 (180deg=-0.192) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0457) USER MOD Single : A 25 ASN : amide:sc= 0.553 K(o=0.55,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0857 (180deg=-0.564) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 160:sc= -0.661 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00327) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.98! K(o=-2!,f=-0.54) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.9!) USER MOD Single : A 94 SER OG : rot 150:sc= 0.48 USER MOD Single : A 106 THR OG1 : rot -158:sc= 0.543 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.752 USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= -1.29! (180deg=-1.95!) USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= 0.613 (180deg=0.2) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 2.584 3.679 6.476 1.00 74.53 N ATOM 35 CA ILE A 3 1.794 3.759 5.240 1.00 53.02 C ATOM 36 C ILE A 3 2.033 2.517 4.355 1.00 50.40 C ATOM 37 O ILE A 3 3.169 2.069 4.186 1.00 43.12 O ATOM 38 CB ILE A 3 2.129 5.054 4.447 1.00 54.31 C ATOM 39 CG1 ILE A 3 1.410 5.071 3.085 1.00 2.52 C ATOM 40 CG2 ILE A 3 3.639 5.206 4.274 1.00 41.11 C ATOM 41 CD1 ILE A 3 1.653 6.328 2.274 1.00 22.24 C ATOM 0 HA ILE A 3 0.741 3.789 5.521 1.00 53.02 H new ATOM 0 HB ILE A 3 1.768 5.906 5.022 1.00 54.31 H new ATOM 0 HG12 ILE A 3 1.735 4.208 2.504 1.00 2.52 H new ATOM 0 HG13 ILE A 3 0.338 4.959 3.250 1.00 2.52 H new ATOM 0 HG21 ILE A 3 3.851 6.118 3.717 1.00 41.11 H new ATOM 0 HG22 ILE A 3 4.114 5.260 5.254 1.00 41.11 H new ATOM 0 HG23 ILE A 3 4.031 4.348 3.728 1.00 41.11 H new ATOM 0 HD11 ILE A 3 1.113 6.262 1.330 1.00 22.24 H new ATOM 0 HD12 ILE A 3 1.302 7.195 2.833 1.00 22.24 H new ATOM 0 HD13 ILE A 3 2.720 6.432 2.075 1.00 22.24 H new ATOM 53 N VAL A 4 0.956 1.961 3.799 1.00 15.14 N ATOM 54 CA VAL A 4 1.034 0.720 3.015 1.00 24.43 C ATOM 55 C VAL A 4 0.491 0.912 1.588 1.00 34.10 C ATOM 56 O VAL A 4 -0.510 1.594 1.379 1.00 22.01 O ATOM 57 CB VAL A 4 0.242 -0.424 3.705 1.00 55.52 C ATOM 58 CG1 VAL A 4 0.399 -1.739 2.941 1.00 34.35 C ATOM 59 CG2 VAL A 4 0.675 -0.585 5.163 1.00 14.45 C ATOM 0 H VAL A 4 0.016 2.349 3.875 1.00 15.14 H new ATOM 0 HA VAL A 4 2.089 0.452 2.957 1.00 24.43 H new ATOM 0 HB VAL A 4 -0.814 -0.154 3.694 1.00 55.52 H new ATOM 0 HG11 VAL A 4 -0.166 -2.523 3.446 1.00 34.35 H new ATOM 0 HG12 VAL A 4 0.022 -1.617 1.926 1.00 34.35 H new ATOM 0 HG13 VAL A 4 1.453 -2.016 2.906 1.00 34.35 H new ATOM 0 HG21 VAL A 4 0.106 -1.392 5.625 1.00 14.45 H new ATOM 0 HG22 VAL A 4 1.738 -0.822 5.203 1.00 14.45 H new ATOM 0 HG23 VAL A 4 0.490 0.344 5.702 1.00 14.45 H new ATOM 69 N ILE A 5 1.160 0.305 0.609 1.00 42.33 N ATOM 70 CA ILE A 5 0.711 0.354 -0.789 1.00 24.34 C ATOM 71 C ILE A 5 0.425 -1.059 -1.325 1.00 55.21 C ATOM 72 O ILE A 5 1.268 -1.948 -1.228 1.00 52.52 O ATOM 73 CB ILE A 5 1.768 1.038 -1.694 1.00 14.21 C ATOM 74 CG1 ILE A 5 2.100 2.444 -1.164 1.00 14.11 C ATOM 75 CG2 ILE A 5 1.280 1.108 -3.143 1.00 3.23 C ATOM 76 CD1 ILE A 5 3.194 3.154 -1.938 1.00 24.31 C ATOM 0 H ILE A 5 2.017 -0.229 0.755 1.00 42.33 H new ATOM 0 HA ILE A 5 -0.208 0.940 -0.811 1.00 24.34 H new ATOM 0 HB ILE A 5 2.677 0.437 -1.672 1.00 14.21 H new ATOM 0 HG12 ILE A 5 1.197 3.053 -1.190 1.00 14.11 H new ATOM 0 HG13 ILE A 5 2.401 2.365 -0.119 1.00 14.11 H new ATOM 0 HG21 ILE A 5 2.038 1.592 -3.759 1.00 3.23 H new ATOM 0 HG22 ILE A 5 1.099 0.100 -3.515 1.00 3.23 H new ATOM 0 HG23 ILE A 5 0.355 1.683 -3.188 1.00 3.23 H new ATOM 0 HD11 ILE A 5 3.368 4.138 -1.502 1.00 24.31 H new ATOM 0 HD12 ILE A 5 4.112 2.568 -1.891 1.00 24.31 H new ATOM 0 HD13 ILE A 5 2.889 3.267 -2.978 1.00 24.31 H new ATOM 88 N VAL A 6 -0.763 -1.264 -1.889 1.00 75.21 N ATOM 89 CA VAL A 6 -1.161 -2.575 -2.419 1.00 45.31 C ATOM 90 C VAL A 6 -1.294 -2.545 -3.954 1.00 1.24 C ATOM 91 O VAL A 6 -2.113 -1.807 -4.504 1.00 4.52 O ATOM 92 CB VAL A 6 -2.501 -3.047 -1.797 1.00 74.54 C ATOM 93 CG1 VAL A 6 -2.860 -4.453 -2.277 1.00 62.33 C ATOM 94 CG2 VAL A 6 -2.437 -2.993 -0.270 1.00 51.02 C ATOM 0 H VAL A 6 -1.473 -0.539 -1.993 1.00 75.21 H new ATOM 0 HA VAL A 6 -0.374 -3.279 -2.148 1.00 45.31 H new ATOM 0 HB VAL A 6 -3.286 -2.368 -2.129 1.00 74.54 H new ATOM 0 HG11 VAL A 6 -3.804 -4.761 -1.827 1.00 62.33 H new ATOM 0 HG12 VAL A 6 -2.959 -4.453 -3.363 1.00 62.33 H new ATOM 0 HG13 VAL A 6 -2.074 -5.149 -1.984 1.00 62.33 H new ATOM 0 HG21 VAL A 6 -3.387 -3.328 0.146 1.00 51.02 H new ATOM 0 HG22 VAL A 6 -1.637 -3.643 0.084 1.00 51.02 H new ATOM 0 HG23 VAL A 6 -2.242 -1.970 0.050 1.00 51.02 H new ATOM 104 N VAL A 7 -0.489 -3.356 -4.639 1.00 74.32 N ATOM 105 CA VAL A 7 -0.486 -3.392 -6.111 1.00 12.14 C ATOM 106 C VAL A 7 -1.141 -4.678 -6.650 1.00 30.21 C ATOM 107 O VAL A 7 -0.619 -5.775 -6.457 1.00 21.12 O ATOM 108 CB VAL A 7 0.958 -3.283 -6.667 1.00 33.42 C ATOM 109 CG1 VAL A 7 0.973 -3.333 -8.198 1.00 72.34 C ATOM 110 CG2 VAL A 7 1.631 -2.007 -6.161 1.00 60.22 C ATOM 0 H VAL A 7 0.172 -3.999 -4.203 1.00 74.32 H new ATOM 0 HA VAL A 7 -1.069 -2.535 -6.448 1.00 12.14 H new ATOM 0 HB VAL A 7 1.522 -4.142 -6.303 1.00 33.42 H new ATOM 0 HG11 VAL A 7 2.000 -3.254 -8.555 1.00 72.34 H new ATOM 0 HG12 VAL A 7 0.543 -4.276 -8.535 1.00 72.34 H new ATOM 0 HG13 VAL A 7 0.387 -2.504 -8.595 1.00 72.34 H new ATOM 0 HG21 VAL A 7 2.643 -1.946 -6.561 1.00 60.22 H new ATOM 0 HG22 VAL A 7 1.059 -1.139 -6.489 1.00 60.22 H new ATOM 0 HG23 VAL A 7 1.671 -2.024 -5.072 1.00 60.22 H new ATOM 120 N PHE A 8 -2.279 -4.532 -7.334 1.00 32.14 N ATOM 121 CA PHE A 8 -3.013 -5.685 -7.892 1.00 53.51 C ATOM 122 C PHE A 8 -2.570 -6.038 -9.322 1.00 43.42 C ATOM 123 O PHE A 8 -2.953 -7.079 -9.854 1.00 21.04 O ATOM 124 CB PHE A 8 -4.526 -5.414 -7.878 1.00 65.24 C ATOM 125 CG PHE A 8 -5.168 -5.547 -6.519 1.00 4.45 C ATOM 126 CD1 PHE A 8 -5.122 -4.505 -5.605 1.00 44.54 C ATOM 127 CD2 PHE A 8 -5.824 -6.719 -6.158 1.00 72.41 C ATOM 128 CE1 PHE A 8 -5.713 -4.628 -4.361 1.00 14.25 C ATOM 129 CE2 PHE A 8 -6.416 -6.845 -4.915 1.00 1.31 C ATOM 130 CZ PHE A 8 -6.362 -5.798 -4.016 1.00 22.45 C ATOM 0 H PHE A 8 -2.717 -3.629 -7.518 1.00 32.14 H new ATOM 0 HA PHE A 8 -2.780 -6.539 -7.256 1.00 53.51 H new ATOM 0 HB2 PHE A 8 -4.706 -4.407 -8.255 1.00 65.24 H new ATOM 0 HB3 PHE A 8 -5.013 -6.105 -8.566 1.00 65.24 H new ATOM 0 HD1 PHE A 8 -4.619 -3.586 -5.868 1.00 44.54 H new ATOM 0 HD2 PHE A 8 -5.872 -7.541 -6.857 1.00 72.41 H new ATOM 0 HE1 PHE A 8 -5.667 -3.809 -3.659 1.00 14.25 H new ATOM 0 HE2 PHE A 8 -6.920 -7.762 -4.647 1.00 1.31 H new ATOM 0 HZ PHE A 8 -6.826 -5.894 -3.045 1.00 22.45 H new ATOM 140 N SER A 9 -1.769 -5.179 -9.949 1.00 12.14 N ATOM 141 CA SER A 9 -1.334 -5.412 -11.341 1.00 4.11 C ATOM 142 C SER A 9 -0.236 -6.486 -11.415 1.00 55.22 C ATOM 143 O SER A 9 -0.051 -7.134 -12.449 1.00 50.44 O ATOM 144 CB SER A 9 -0.830 -4.110 -11.977 1.00 22.13 C ATOM 145 OG SER A 9 0.445 -3.744 -11.471 1.00 21.41 O ATOM 0 H SER A 9 -1.407 -4.323 -9.529 1.00 12.14 H new ATOM 0 HA SER A 9 -2.201 -5.769 -11.897 1.00 4.11 H new ATOM 0 HB2 SER A 9 -0.772 -4.231 -13.059 1.00 22.13 H new ATOM 0 HB3 SER A 9 -1.543 -3.309 -11.783 1.00 22.13 H new ATOM 0 HG SER A 9 1.134 -3.954 -12.136 1.00 21.41 H new ATOM 151 N THR A 10 0.497 -6.652 -10.310 1.00 24.03 N ATOM 152 CA THR A 10 1.509 -7.718 -10.170 1.00 34.25 C ATOM 153 C THR A 10 2.724 -7.513 -11.112 1.00 45.04 C ATOM 154 O THR A 10 3.494 -8.442 -11.364 1.00 1.01 O ATOM 155 CB THR A 10 0.883 -9.128 -10.415 1.00 23.04 C ATOM 156 OG1 THR A 10 -0.414 -9.219 -9.792 1.00 44.32 O ATOM 157 CG2 THR A 10 1.769 -10.243 -9.864 1.00 44.11 C ATOM 0 H THR A 10 0.411 -6.056 -9.487 1.00 24.03 H new ATOM 0 HA THR A 10 1.871 -7.660 -9.143 1.00 34.25 H new ATOM 0 HB THR A 10 0.791 -9.252 -11.494 1.00 23.04 H new ATOM 0 HG1 THR A 10 -0.343 -8.962 -8.849 1.00 44.32 H new ATOM 0 HG21 THR A 10 1.299 -11.208 -10.054 1.00 44.11 H new ATOM 0 HG22 THR A 10 2.742 -10.210 -10.354 1.00 44.11 H new ATOM 0 HG23 THR A 10 1.899 -10.108 -8.790 1.00 44.11 H new ATOM 165 N ASP A 11 2.906 -6.290 -11.619 1.00 73.13 N ATOM 166 CA ASP A 11 4.056 -5.975 -12.490 1.00 2.33 C ATOM 167 C ASP A 11 5.278 -5.516 -11.685 1.00 14.43 C ATOM 168 O ASP A 11 5.161 -4.682 -10.787 1.00 4.53 O ATOM 169 CB ASP A 11 3.706 -4.862 -13.480 1.00 25.14 C ATOM 170 CG ASP A 11 2.543 -5.212 -14.375 1.00 75.23 C ATOM 171 OD1 ASP A 11 2.758 -5.886 -15.405 1.00 3.44 O ATOM 172 OD2 ASP A 11 1.412 -4.808 -14.054 1.00 31.32 O ATOM 0 H ASP A 11 2.280 -5.503 -11.447 1.00 73.13 H new ATOM 0 HA ASP A 11 4.295 -6.897 -13.020 1.00 2.33 H new ATOM 0 HB2 ASP A 11 3.471 -3.953 -12.927 1.00 25.14 H new ATOM 0 HB3 ASP A 11 4.578 -4.644 -14.096 1.00 25.14 H new ATOM 177 N GLU A 12 6.452 -6.039 -12.034 1.00 12.34 N ATOM 178 CA GLU A 12 7.716 -5.554 -11.466 1.00 41.43 C ATOM 179 C GLU A 12 8.076 -4.177 -12.048 1.00 45.33 C ATOM 180 O GLU A 12 8.462 -3.260 -11.321 1.00 0.32 O ATOM 181 CB GLU A 12 8.856 -6.541 -11.762 1.00 21.32 C ATOM 182 CG GLU A 12 8.654 -7.934 -11.179 1.00 33.24 C ATOM 183 CD GLU A 12 9.737 -8.908 -11.617 1.00 50.32 C ATOM 184 OE1 GLU A 12 9.743 -9.299 -12.805 1.00 63.12 O ATOM 185 OE2 GLU A 12 10.595 -9.285 -10.786 1.00 74.44 O ATOM 0 H GLU A 12 6.558 -6.798 -12.707 1.00 12.34 H new ATOM 0 HA GLU A 12 7.586 -5.467 -10.387 1.00 41.43 H new ATOM 0 HB2 GLU A 12 8.974 -6.627 -12.842 1.00 21.32 H new ATOM 0 HB3 GLU A 12 9.787 -6.129 -11.372 1.00 21.32 H new ATOM 0 HG2 GLU A 12 8.644 -7.872 -10.091 1.00 33.24 H new ATOM 0 HG3 GLU A 12 7.680 -8.316 -11.486 1.00 33.24 H new ATOM 192 N GLU A 13 7.939 -4.045 -13.371 1.00 1.41 N ATOM 193 CA GLU A 13 8.282 -2.802 -14.075 1.00 41.35 C ATOM 194 C GLU A 13 7.376 -1.634 -13.651 1.00 15.31 C ATOM 195 O GLU A 13 7.852 -0.523 -13.428 1.00 33.44 O ATOM 196 CB GLU A 13 8.224 -3.011 -15.597 1.00 42.54 C ATOM 197 CG GLU A 13 6.874 -3.494 -16.119 1.00 3.14 C ATOM 198 CD GLU A 13 6.881 -3.710 -17.624 1.00 62.33 C ATOM 199 OE1 GLU A 13 7.228 -4.823 -18.072 1.00 42.22 O ATOM 200 OE2 GLU A 13 6.556 -2.760 -18.370 1.00 13.20 O ATOM 0 H GLU A 13 7.592 -4.786 -13.980 1.00 1.41 H new ATOM 0 HA GLU A 13 9.302 -2.538 -13.796 1.00 41.35 H new ATOM 0 HB2 GLU A 13 8.475 -2.072 -16.090 1.00 42.54 H new ATOM 0 HB3 GLU A 13 8.989 -3.734 -15.881 1.00 42.54 H new ATOM 0 HG2 GLU A 13 6.607 -4.426 -15.622 1.00 3.14 H new ATOM 0 HG3 GLU A 13 6.106 -2.765 -15.862 1.00 3.14 H new ATOM 207 N THR A 14 6.073 -1.881 -13.539 1.00 13.43 N ATOM 208 CA THR A 14 5.144 -0.862 -13.026 1.00 22.21 C ATOM 209 C THR A 14 5.478 -0.522 -11.569 1.00 55.34 C ATOM 210 O THR A 14 5.486 0.642 -11.169 1.00 73.13 O ATOM 211 CB THR A 14 3.671 -1.334 -13.109 1.00 4.24 C ATOM 212 OG1 THR A 14 3.372 -1.768 -14.445 1.00 34.14 O ATOM 213 CG2 THR A 14 2.707 -0.218 -12.712 1.00 21.53 C ATOM 0 H THR A 14 5.634 -2.766 -13.792 1.00 13.43 H new ATOM 0 HA THR A 14 5.260 0.023 -13.652 1.00 22.21 H new ATOM 0 HB THR A 14 3.545 -2.163 -12.412 1.00 4.24 H new ATOM 0 HG1 THR A 14 2.440 -2.067 -14.491 1.00 34.14 H new ATOM 0 HG21 THR A 14 1.682 -0.581 -12.781 1.00 21.53 H new ATOM 0 HG22 THR A 14 2.913 0.094 -11.688 1.00 21.53 H new ATOM 0 HG23 THR A 14 2.837 0.631 -13.383 1.00 21.53 H new ATOM 221 N LEU A 15 5.774 -1.559 -10.788 1.00 50.43 N ATOM 222 CA LEU A 15 6.189 -1.404 -9.389 1.00 12.30 C ATOM 223 C LEU A 15 7.478 -0.567 -9.268 1.00 52.50 C ATOM 224 O LEU A 15 7.721 0.084 -8.248 1.00 61.43 O ATOM 225 CB LEU A 15 6.401 -2.794 -8.777 1.00 51.41 C ATOM 226 CG LEU A 15 6.829 -2.825 -7.303 1.00 2.00 C ATOM 227 CD1 LEU A 15 5.736 -2.246 -6.406 1.00 44.31 C ATOM 228 CD2 LEU A 15 7.185 -4.252 -6.888 1.00 5.33 C ATOM 0 H LEU A 15 5.734 -2.528 -11.103 1.00 50.43 H new ATOM 0 HA LEU A 15 5.405 -0.872 -8.850 1.00 12.30 H new ATOM 0 HB2 LEU A 15 5.474 -3.358 -8.877 1.00 51.41 H new ATOM 0 HB3 LEU A 15 7.156 -3.316 -9.365 1.00 51.41 H new ATOM 0 HG LEU A 15 7.716 -2.202 -7.185 1.00 2.00 H new ATOM 0 HD11 LEU A 15 6.063 -2.279 -5.367 1.00 44.31 H new ATOM 0 HD12 LEU A 15 5.540 -1.213 -6.692 1.00 44.31 H new ATOM 0 HD13 LEU A 15 4.824 -2.833 -6.518 1.00 44.31 H new ATOM 0 HD21 LEU A 15 7.487 -4.262 -5.841 1.00 5.33 H new ATOM 0 HD22 LEU A 15 6.316 -4.897 -7.021 1.00 5.33 H new ATOM 0 HD23 LEU A 15 8.006 -4.617 -7.506 1.00 5.33 H new ATOM 240 N ARG A 16 8.302 -0.601 -10.315 1.00 60.32 N ATOM 241 CA ARG A 16 9.538 0.188 -10.368 1.00 43.30 C ATOM 242 C ARG A 16 9.236 1.689 -10.239 1.00 4.14 C ATOM 243 O ARG A 16 9.953 2.424 -9.557 1.00 32.23 O ATOM 244 CB ARG A 16 10.276 -0.092 -11.687 1.00 51.30 C ATOM 245 CG ARG A 16 11.675 0.512 -11.774 1.00 51.31 C ATOM 246 CD ARG A 16 12.635 -0.126 -10.774 1.00 23.31 C ATOM 247 NE ARG A 16 14.019 0.257 -11.031 1.00 23.13 N ATOM 248 CZ ARG A 16 15.055 -0.450 -10.672 1.00 23.30 C ATOM 249 NH1 ARG A 16 14.910 -1.537 -9.981 1.00 44.45 N ATOM 250 NH2 ARG A 16 16.240 -0.058 -10.999 1.00 35.54 N ATOM 0 H ARG A 16 8.136 -1.170 -11.145 1.00 60.32 H new ATOM 0 HA ARG A 16 10.172 -0.104 -9.531 1.00 43.30 H new ATOM 0 HB2 ARG A 16 10.351 -1.171 -11.824 1.00 51.30 H new ATOM 0 HB3 ARG A 16 9.677 0.293 -12.512 1.00 51.30 H new ATOM 0 HG2 ARG A 16 12.064 0.382 -12.784 1.00 51.31 H new ATOM 0 HG3 ARG A 16 11.619 1.585 -11.589 1.00 51.31 H new ATOM 0 HD2 ARG A 16 12.357 0.172 -9.763 1.00 23.31 H new ATOM 0 HD3 ARG A 16 12.543 -1.211 -10.823 1.00 23.31 H new ATOM 0 HE ARG A 16 14.188 1.134 -11.523 1.00 23.13 H new ATOM 0 HH11 ARG A 16 13.977 -1.849 -9.711 1.00 44.45 H new ATOM 0 HH12 ARG A 16 15.729 -2.080 -9.707 1.00 44.45 H new ATOM 0 HH21 ARG A 16 16.363 0.801 -11.535 1.00 35.54 H new ATOM 0 HH22 ARG A 16 17.054 -0.607 -10.721 1.00 35.54 H new ATOM 264 N LYS A 17 8.155 2.129 -10.890 1.00 23.14 N ATOM 265 CA LYS A 17 7.715 3.526 -10.809 1.00 1.13 C ATOM 266 C LYS A 17 7.399 3.919 -9.359 1.00 23.24 C ATOM 267 O LYS A 17 7.787 4.991 -8.899 1.00 71.01 O ATOM 268 CB LYS A 17 6.481 3.777 -11.701 1.00 60.24 C ATOM 269 CG LYS A 17 6.785 3.870 -13.199 1.00 14.03 C ATOM 270 CD LYS A 17 7.176 2.526 -13.808 1.00 50.42 C ATOM 271 CE LYS A 17 7.540 2.654 -15.286 1.00 71.04 C ATOM 272 NZ LYS A 17 6.433 3.233 -16.100 1.00 24.02 N ATOM 0 H LYS A 17 7.568 1.538 -11.479 1.00 23.14 H new ATOM 0 HA LYS A 17 8.535 4.146 -11.171 1.00 1.13 H new ATOM 0 HB2 LYS A 17 5.762 2.974 -11.539 1.00 60.24 H new ATOM 0 HB3 LYS A 17 6.001 4.703 -11.383 1.00 60.24 H new ATOM 0 HG2 LYS A 17 5.909 4.258 -13.719 1.00 14.03 H new ATOM 0 HG3 LYS A 17 7.593 4.584 -13.357 1.00 14.03 H new ATOM 0 HD2 LYS A 17 8.023 2.112 -13.260 1.00 50.42 H new ATOM 0 HD3 LYS A 17 6.350 1.823 -13.697 1.00 50.42 H new ATOM 0 HE2 LYS A 17 8.426 3.281 -15.385 1.00 71.04 H new ATOM 0 HE3 LYS A 17 7.800 1.671 -15.679 1.00 71.04 H new ATOM 0 HZ1 LYS A 17 6.669 3.158 -17.110 1.00 24.02 H new ATOM 0 HZ2 LYS A 17 5.553 2.711 -15.911 1.00 24.02 H new ATOM 0 HZ3 LYS A 17 6.303 4.234 -15.848 1.00 24.02 H new ATOM 286 N PHE A 18 6.701 3.036 -8.642 1.00 11.24 N ATOM 287 CA PHE A 18 6.366 3.279 -7.233 1.00 22.22 C ATOM 288 C PHE A 18 7.630 3.490 -6.386 1.00 22.40 C ATOM 289 O PHE A 18 7.703 4.431 -5.596 1.00 34.24 O ATOM 290 CB PHE A 18 5.528 2.123 -6.670 1.00 41.20 C ATOM 291 CG PHE A 18 4.148 2.039 -7.273 1.00 21.30 C ATOM 292 CD1 PHE A 18 3.920 1.301 -8.424 1.00 53.44 C ATOM 293 CD2 PHE A 18 3.080 2.708 -6.690 1.00 11.33 C ATOM 294 CE1 PHE A 18 2.659 1.233 -8.983 1.00 62.12 C ATOM 295 CE2 PHE A 18 1.817 2.641 -7.243 1.00 32.14 C ATOM 296 CZ PHE A 18 1.606 1.903 -8.391 1.00 54.55 C ATOM 0 H PHE A 18 6.357 2.149 -9.010 1.00 11.24 H new ATOM 0 HA PHE A 18 5.775 4.194 -7.185 1.00 22.22 H new ATOM 0 HB2 PHE A 18 6.052 1.184 -6.846 1.00 41.20 H new ATOM 0 HB3 PHE A 18 5.439 2.240 -5.590 1.00 41.20 H new ATOM 0 HD1 PHE A 18 4.739 0.773 -8.889 1.00 53.44 H new ATOM 0 HD2 PHE A 18 3.239 3.288 -5.793 1.00 11.33 H new ATOM 0 HE1 PHE A 18 2.496 0.657 -9.882 1.00 62.12 H new ATOM 0 HE2 PHE A 18 0.995 3.165 -6.778 1.00 32.14 H new ATOM 0 HZ PHE A 18 0.619 1.850 -8.826 1.00 54.55 H new ATOM 306 N LYS A 19 8.631 2.622 -6.566 1.00 33.45 N ATOM 307 CA LYS A 19 9.922 2.787 -5.878 1.00 40.51 C ATOM 308 C LYS A 19 10.530 4.171 -6.171 1.00 74.51 C ATOM 309 O LYS A 19 11.008 4.857 -5.266 1.00 42.35 O ATOM 310 CB LYS A 19 10.925 1.699 -6.305 1.00 51.42 C ATOM 311 CG LYS A 19 10.532 0.273 -5.921 1.00 23.35 C ATOM 312 CD LYS A 19 11.692 -0.699 -6.146 1.00 12.30 C ATOM 313 CE LYS A 19 11.349 -2.128 -5.731 1.00 61.45 C ATOM 314 NZ LYS A 19 10.387 -2.771 -6.662 1.00 65.35 N ATOM 0 H LYS A 19 8.577 1.805 -7.175 1.00 33.45 H new ATOM 0 HA LYS A 19 9.729 2.695 -4.809 1.00 40.51 H new ATOM 0 HB2 LYS A 19 11.051 1.746 -7.387 1.00 51.42 H new ATOM 0 HB3 LYS A 19 11.894 1.925 -5.861 1.00 51.42 H new ATOM 0 HG2 LYS A 19 10.229 0.246 -4.874 1.00 23.35 H new ATOM 0 HG3 LYS A 19 9.671 -0.041 -6.511 1.00 23.35 H new ATOM 0 HD2 LYS A 19 11.972 -0.688 -7.199 1.00 12.30 H new ATOM 0 HD3 LYS A 19 12.561 -0.359 -5.582 1.00 12.30 H new ATOM 0 HE2 LYS A 19 12.263 -2.721 -5.690 1.00 61.45 H new ATOM 0 HE3 LYS A 19 10.928 -2.121 -4.726 1.00 61.45 H new ATOM 0 HZ1 LYS A 19 9.855 -3.509 -6.157 1.00 65.35 H new ATOM 0 HZ2 LYS A 19 9.726 -2.056 -7.026 1.00 65.35 H new ATOM 0 HZ3 LYS A 19 10.905 -3.199 -7.455 1.00 65.35 H new ATOM 328 N ASP A 20 10.506 4.559 -7.443 1.00 15.14 N ATOM 329 CA ASP A 20 11.061 5.842 -7.892 1.00 30.43 C ATOM 330 C ASP A 20 10.348 7.038 -7.222 1.00 42.22 C ATOM 331 O ASP A 20 10.990 7.964 -6.719 1.00 4.11 O ATOM 332 CB ASP A 20 10.932 5.931 -9.420 1.00 73.51 C ATOM 333 CG ASP A 20 11.675 7.113 -10.019 1.00 21.23 C ATOM 334 OD1 ASP A 20 11.129 8.232 -10.016 1.00 21.51 O ATOM 335 OD2 ASP A 20 12.802 6.922 -10.522 1.00 41.32 O ATOM 0 H ASP A 20 10.103 3.998 -8.194 1.00 15.14 H new ATOM 0 HA ASP A 20 12.111 5.890 -7.602 1.00 30.43 H new ATOM 0 HB2 ASP A 20 11.311 5.010 -9.864 1.00 73.51 H new ATOM 0 HB3 ASP A 20 9.877 6.002 -9.685 1.00 73.51 H new ATOM 340 N ILE A 21 9.018 7.000 -7.210 1.00 60.42 N ATOM 341 CA ILE A 21 8.210 8.081 -6.632 1.00 30.41 C ATOM 342 C ILE A 21 8.408 8.192 -5.110 1.00 61.43 C ATOM 343 O ILE A 21 8.469 9.295 -4.554 1.00 13.04 O ATOM 344 CB ILE A 21 6.711 7.876 -6.956 1.00 33.44 C ATOM 345 CG1 ILE A 21 6.510 7.823 -8.482 1.00 75.53 C ATOM 346 CG2 ILE A 21 5.866 8.988 -6.333 1.00 61.15 C ATOM 347 CD1 ILE A 21 5.112 7.429 -8.909 1.00 2.01 C ATOM 0 H ILE A 21 8.471 6.230 -7.595 1.00 60.42 H new ATOM 0 HA ILE A 21 8.549 9.013 -7.084 1.00 30.41 H new ATOM 0 HB ILE A 21 6.383 6.929 -6.527 1.00 33.44 H new ATOM 0 HG12 ILE A 21 6.745 8.801 -8.903 1.00 75.53 H new ATOM 0 HG13 ILE A 21 7.221 7.114 -8.907 1.00 75.53 H new ATOM 0 HG21 ILE A 21 4.815 8.825 -6.573 1.00 61.15 H new ATOM 0 HG22 ILE A 21 5.996 8.981 -5.251 1.00 61.15 H new ATOM 0 HG23 ILE A 21 6.183 9.952 -6.730 1.00 61.15 H new ATOM 0 HD11 ILE A 21 5.054 7.415 -9.997 1.00 2.01 H new ATOM 0 HD12 ILE A 21 4.879 6.437 -8.521 1.00 2.01 H new ATOM 0 HD13 ILE A 21 4.395 8.150 -8.517 1.00 2.01 H new ATOM 359 N ILE A 22 8.513 7.052 -4.439 1.00 25.04 N ATOM 360 CA ILE A 22 8.800 7.030 -3.004 1.00 71.51 C ATOM 361 C ILE A 22 10.189 7.636 -2.709 1.00 23.54 C ATOM 362 O ILE A 22 10.364 8.389 -1.746 1.00 3.45 O ATOM 363 CB ILE A 22 8.719 5.586 -2.444 1.00 22.34 C ATOM 364 CG1 ILE A 22 7.287 5.038 -2.588 1.00 62.32 C ATOM 365 CG2 ILE A 22 9.170 5.540 -0.986 1.00 25.31 C ATOM 366 CD1 ILE A 22 7.121 3.608 -2.114 1.00 74.32 C ATOM 0 H ILE A 22 8.404 6.130 -4.862 1.00 25.04 H new ATOM 0 HA ILE A 22 8.044 7.638 -2.507 1.00 71.51 H new ATOM 0 HB ILE A 22 9.393 4.955 -3.023 1.00 22.34 H new ATOM 0 HG12 ILE A 22 6.607 5.677 -2.025 1.00 62.32 H new ATOM 0 HG13 ILE A 22 6.990 5.099 -3.635 1.00 62.32 H new ATOM 0 HG21 ILE A 22 9.104 4.517 -0.617 1.00 25.31 H new ATOM 0 HG22 ILE A 22 10.201 5.886 -0.913 1.00 25.31 H new ATOM 0 HG23 ILE A 22 8.528 6.184 -0.386 1.00 25.31 H new ATOM 0 HD11 ILE A 22 6.085 3.298 -2.249 1.00 74.32 H new ATOM 0 HD12 ILE A 22 7.774 2.955 -2.693 1.00 74.32 H new ATOM 0 HD13 ILE A 22 7.385 3.542 -1.058 1.00 74.32 H new ATOM 378 N LYS A 23 11.171 7.318 -3.556 1.00 4.44 N ATOM 379 CA LYS A 23 12.516 7.900 -3.439 1.00 0.53 C ATOM 380 C LYS A 23 12.505 9.412 -3.720 1.00 75.11 C ATOM 381 O LYS A 23 13.274 10.165 -3.124 1.00 74.24 O ATOM 382 CB LYS A 23 13.495 7.197 -4.391 1.00 12.14 C ATOM 383 CG LYS A 23 13.751 5.732 -4.048 1.00 70.20 C ATOM 384 CD LYS A 23 14.301 5.569 -2.632 1.00 55.41 C ATOM 385 CE LYS A 23 14.639 4.115 -2.317 1.00 41.30 C ATOM 386 NZ LYS A 23 15.734 3.596 -3.181 1.00 72.14 N ATOM 0 H LYS A 23 11.063 6.662 -4.330 1.00 4.44 H new ATOM 0 HA LYS A 23 12.847 7.749 -2.412 1.00 0.53 H new ATOM 0 HB2 LYS A 23 13.105 7.259 -5.407 1.00 12.14 H new ATOM 0 HB3 LYS A 23 14.444 7.733 -4.381 1.00 12.14 H new ATOM 0 HG2 LYS A 23 12.823 5.168 -4.145 1.00 70.20 H new ATOM 0 HG3 LYS A 23 14.457 5.309 -4.763 1.00 70.20 H new ATOM 0 HD2 LYS A 23 15.194 6.183 -2.517 1.00 55.41 H new ATOM 0 HD3 LYS A 23 13.568 5.935 -1.913 1.00 55.41 H new ATOM 0 HE2 LYS A 23 14.932 4.030 -1.271 1.00 41.30 H new ATOM 0 HE3 LYS A 23 13.750 3.499 -2.450 1.00 41.30 H new ATOM 0 HZ1 LYS A 23 16.082 2.694 -2.797 1.00 72.14 H new ATOM 0 HZ2 LYS A 23 15.374 3.445 -4.145 1.00 72.14 H new ATOM 0 HZ3 LYS A 23 16.513 4.285 -3.206 1.00 72.14 H new ATOM 400 N LYS A 24 11.631 9.844 -4.632 1.00 24.43 N ATOM 401 CA LYS A 24 11.460 11.272 -4.943 1.00 4.05 C ATOM 402 C LYS A 24 11.163 12.097 -3.677 1.00 70.52 C ATOM 403 O LYS A 24 11.705 13.188 -3.487 1.00 71.14 O ATOM 404 CB LYS A 24 10.320 11.449 -5.962 1.00 41.21 C ATOM 405 CG LYS A 24 9.971 12.903 -6.279 1.00 74.34 C ATOM 406 CD LYS A 24 8.770 13.002 -7.220 1.00 25.24 C ATOM 407 CE LYS A 24 8.374 14.450 -7.501 1.00 12.12 C ATOM 408 NZ LYS A 24 9.443 15.198 -8.215 1.00 61.43 N ATOM 0 H LYS A 24 11.027 9.225 -5.172 1.00 24.43 H new ATOM 0 HA LYS A 24 12.395 11.638 -5.368 1.00 4.05 H new ATOM 0 HB2 LYS A 24 10.596 10.945 -6.888 1.00 41.21 H new ATOM 0 HB3 LYS A 24 9.429 10.950 -5.581 1.00 41.21 H new ATOM 0 HG2 LYS A 24 9.753 13.436 -5.353 1.00 74.34 H new ATOM 0 HG3 LYS A 24 10.832 13.393 -6.734 1.00 74.34 H new ATOM 0 HD2 LYS A 24 9.005 12.503 -8.160 1.00 25.24 H new ATOM 0 HD3 LYS A 24 7.923 12.474 -6.782 1.00 25.24 H new ATOM 0 HE2 LYS A 24 7.462 14.466 -8.097 1.00 12.12 H new ATOM 0 HE3 LYS A 24 8.148 14.952 -6.560 1.00 12.12 H new ATOM 0 HZ1 LYS A 24 9.092 16.142 -8.474 1.00 61.43 H new ATOM 0 HZ2 LYS A 24 10.272 15.295 -7.595 1.00 61.43 H new ATOM 0 HZ3 LYS A 24 9.713 14.681 -9.076 1.00 61.43 H new ATOM 422 N ASN A 25 10.308 11.558 -2.808 1.00 50.45 N ATOM 423 CA ASN A 25 9.913 12.244 -1.570 1.00 14.45 C ATOM 424 C ASN A 25 10.884 11.949 -0.408 1.00 32.53 C ATOM 425 O ASN A 25 10.754 12.516 0.678 1.00 1.11 O ATOM 426 CB ASN A 25 8.486 11.837 -1.182 1.00 1.04 C ATOM 427 CG ASN A 25 7.457 12.275 -2.214 1.00 74.31 C ATOM 428 OD1 ASN A 25 6.912 13.369 -2.139 1.00 61.44 O ATOM 429 ND2 ASN A 25 7.183 11.427 -3.186 1.00 12.43 N ATOM 0 H ASN A 25 9.872 10.645 -2.936 1.00 50.45 H new ATOM 0 HA ASN A 25 9.950 13.317 -1.760 1.00 14.45 H new ATOM 0 HB2 ASN A 25 8.439 10.754 -1.063 1.00 1.04 H new ATOM 0 HB3 ASN A 25 8.236 12.275 -0.215 1.00 1.04 H new ATOM 0 HD21 ASN A 25 6.501 11.675 -3.902 1.00 12.43 H new ATOM 0 HD22 ASN A 25 7.654 10.523 -3.222 1.00 12.43 H new ATOM 436 N GLY A 26 11.851 11.061 -0.640 1.00 60.53 N ATOM 437 CA GLY A 26 12.864 10.766 0.372 1.00 61.15 C ATOM 438 C GLY A 26 12.432 9.731 1.415 1.00 11.32 C ATOM 439 O GLY A 26 12.661 9.914 2.612 1.00 22.14 O ATOM 0 H GLY A 26 11.954 10.539 -1.510 1.00 60.53 H new ATOM 0 HA2 GLY A 26 13.765 10.408 -0.126 1.00 61.15 H new ATOM 0 HA3 GLY A 26 13.129 11.691 0.884 1.00 61.15 H new ATOM 443 N PHE A 27 11.810 8.639 0.967 1.00 64.45 N ATOM 444 CA PHE A 27 11.433 7.530 1.862 1.00 54.14 C ATOM 445 C PHE A 27 12.081 6.211 1.410 1.00 15.35 C ATOM 446 O PHE A 27 12.726 6.150 0.360 1.00 23.11 O ATOM 447 CB PHE A 27 9.906 7.368 1.913 1.00 3.42 C ATOM 448 CG PHE A 27 9.180 8.538 2.531 1.00 1.13 C ATOM 449 CD1 PHE A 27 8.842 9.646 1.768 1.00 33.31 C ATOM 450 CD2 PHE A 27 8.834 8.528 3.876 1.00 24.24 C ATOM 451 CE1 PHE A 27 8.178 10.718 2.331 1.00 25.34 C ATOM 452 CE2 PHE A 27 8.169 9.598 4.445 1.00 42.12 C ATOM 453 CZ PHE A 27 7.841 10.695 3.671 1.00 12.25 C ATOM 0 H PHE A 27 11.554 8.494 -0.010 1.00 64.45 H new ATOM 0 HA PHE A 27 11.797 7.773 2.860 1.00 54.14 H new ATOM 0 HB2 PHE A 27 9.534 7.218 0.900 1.00 3.42 H new ATOM 0 HB3 PHE A 27 9.666 6.467 2.477 1.00 3.42 H new ATOM 0 HD1 PHE A 27 9.102 9.671 0.720 1.00 33.31 H new ATOM 0 HD2 PHE A 27 9.088 7.673 4.485 1.00 24.24 H new ATOM 0 HE1 PHE A 27 7.922 11.574 1.724 1.00 25.34 H new ATOM 0 HE2 PHE A 27 7.906 9.577 5.492 1.00 42.12 H new ATOM 0 HZ PHE A 27 7.322 11.533 4.113 1.00 12.25 H new ATOM 463 N LYS A 28 11.920 5.160 2.211 1.00 0.22 N ATOM 464 CA LYS A 28 12.447 3.831 1.866 1.00 2.12 C ATOM 465 C LYS A 28 11.315 2.866 1.475 1.00 61.02 C ATOM 466 O LYS A 28 10.167 3.056 1.869 1.00 21.45 O ATOM 467 CB LYS A 28 13.256 3.261 3.036 1.00 54.25 C ATOM 468 CG LYS A 28 14.442 4.137 3.423 1.00 42.45 C ATOM 469 CD LYS A 28 15.407 3.435 4.373 1.00 41.33 C ATOM 470 CE LYS A 28 16.622 4.309 4.667 1.00 54.44 C ATOM 471 NZ LYS A 28 17.291 4.766 3.420 1.00 5.53 N ATOM 0 H LYS A 28 11.430 5.198 3.105 1.00 0.22 H new ATOM 0 HA LYS A 28 13.104 3.942 1.003 1.00 2.12 H new ATOM 0 HB2 LYS A 28 12.602 3.143 3.900 1.00 54.25 H new ATOM 0 HB3 LYS A 28 13.617 2.267 2.771 1.00 54.25 H new ATOM 0 HG2 LYS A 28 14.978 4.435 2.522 1.00 42.45 H new ATOM 0 HG3 LYS A 28 14.076 5.050 3.893 1.00 42.45 H new ATOM 0 HD2 LYS A 28 14.895 3.194 5.304 1.00 41.33 H new ATOM 0 HD3 LYS A 28 15.732 2.491 3.935 1.00 41.33 H new ATOM 0 HE2 LYS A 28 16.313 5.175 5.252 1.00 54.44 H new ATOM 0 HE3 LYS A 28 17.332 3.750 5.276 1.00 54.44 H new ATOM 0 HZ1 LYS A 28 18.249 5.103 3.643 1.00 5.53 H new ATOM 0 HZ2 LYS A 28 17.350 3.975 2.748 1.00 5.53 H new ATOM 0 HZ3 LYS A 28 16.742 5.541 2.995 1.00 5.53 H new ATOM 485 N VAL A 29 11.649 1.824 0.711 1.00 31.34 N ATOM 486 CA VAL A 29 10.635 0.909 0.161 1.00 45.31 C ATOM 487 C VAL A 29 10.871 -0.554 0.582 1.00 33.42 C ATOM 488 O VAL A 29 12.011 -1.011 0.672 1.00 0.31 O ATOM 489 CB VAL A 29 10.619 0.970 -1.391 1.00 13.13 C ATOM 490 CG1 VAL A 29 9.428 0.200 -1.962 1.00 73.40 C ATOM 491 CG2 VAL A 29 10.622 2.415 -1.886 1.00 74.44 C ATOM 0 H VAL A 29 12.609 1.590 0.457 1.00 31.34 H new ATOM 0 HA VAL A 29 9.679 1.241 0.566 1.00 45.31 H new ATOM 0 HB VAL A 29 11.530 0.491 -1.749 1.00 13.13 H new ATOM 0 HG11 VAL A 29 9.443 0.261 -3.050 1.00 73.40 H new ATOM 0 HG12 VAL A 29 9.489 -0.844 -1.656 1.00 73.40 H new ATOM 0 HG13 VAL A 29 8.501 0.634 -1.588 1.00 73.40 H new ATOM 0 HG21 VAL A 29 10.611 2.426 -2.976 1.00 74.44 H new ATOM 0 HG22 VAL A 29 9.739 2.931 -1.509 1.00 74.44 H new ATOM 0 HG23 VAL A 29 11.519 2.921 -1.527 1.00 74.44 H new ATOM 501 N ARG A 30 9.781 -1.275 0.858 1.00 2.05 N ATOM 502 CA ARG A 30 9.825 -2.740 1.011 1.00 20.21 C ATOM 503 C ARG A 30 8.694 -3.401 0.207 1.00 23.40 C ATOM 504 O ARG A 30 7.551 -3.456 0.658 1.00 53.34 O ATOM 505 CB ARG A 30 9.736 -3.172 2.487 1.00 35.33 C ATOM 506 CG ARG A 30 10.975 -2.836 3.316 1.00 62.13 C ATOM 507 CD ARG A 30 11.048 -3.668 4.598 1.00 1.20 C ATOM 508 NE ARG A 30 11.223 -5.099 4.318 1.00 70.43 N ATOM 509 CZ ARG A 30 11.426 -6.011 5.236 1.00 63.23 C ATOM 510 NH1 ARG A 30 11.470 -5.693 6.487 1.00 4.13 N ATOM 511 NH2 ARG A 30 11.590 -7.251 4.908 1.00 32.54 N ATOM 0 H ARG A 30 8.853 -0.871 0.981 1.00 2.05 H new ATOM 0 HA ARG A 30 10.788 -3.072 0.624 1.00 20.21 H new ATOM 0 HB2 ARG A 30 8.868 -2.694 2.942 1.00 35.33 H new ATOM 0 HB3 ARG A 30 9.566 -4.248 2.529 1.00 35.33 H new ATOM 0 HG2 ARG A 30 11.870 -3.011 2.719 1.00 62.13 H new ATOM 0 HG3 ARG A 30 10.964 -1.776 3.571 1.00 62.13 H new ATOM 0 HD2 ARG A 30 11.877 -3.315 5.212 1.00 1.20 H new ATOM 0 HD3 ARG A 30 10.137 -3.521 5.178 1.00 1.20 H new ATOM 0 HE ARG A 30 11.184 -5.403 3.345 1.00 70.43 H new ATOM 0 HH11 ARG A 30 11.346 -4.721 6.771 1.00 4.13 H new ATOM 0 HH12 ARG A 30 11.629 -6.414 7.191 1.00 4.13 H new ATOM 0 HH21 ARG A 30 11.562 -7.527 3.926 1.00 32.54 H new ATOM 0 HH22 ARG A 30 11.747 -7.953 5.631 1.00 32.54 H new ATOM 525 N THR A 31 9.016 -3.891 -0.989 1.00 73.41 N ATOM 526 CA THR A 31 8.023 -4.535 -1.860 1.00 34.11 C ATOM 527 C THR A 31 7.887 -6.030 -1.546 1.00 51.24 C ATOM 528 O THR A 31 8.755 -6.838 -1.888 1.00 55.25 O ATOM 529 CB THR A 31 8.369 -4.343 -3.356 1.00 43.30 C ATOM 530 OG1 THR A 31 9.691 -4.826 -3.640 1.00 50.42 O ATOM 531 CG2 THR A 31 8.280 -2.869 -3.744 1.00 14.14 C ATOM 0 H THR A 31 9.957 -3.856 -1.381 1.00 73.41 H new ATOM 0 HA THR A 31 7.068 -4.049 -1.661 1.00 34.11 H new ATOM 0 HB THR A 31 7.646 -4.914 -3.938 1.00 43.30 H new ATOM 0 HG1 THR A 31 9.816 -5.703 -3.220 1.00 50.42 H new ATOM 0 HG21 THR A 31 8.527 -2.755 -4.800 1.00 14.14 H new ATOM 0 HG22 THR A 31 7.267 -2.507 -3.567 1.00 14.14 H new ATOM 0 HG23 THR A 31 8.982 -2.291 -3.143 1.00 14.14 H new ATOM 539 N VAL A 32 6.782 -6.389 -0.898 1.00 20.14 N ATOM 540 CA VAL A 32 6.584 -7.739 -0.360 1.00 60.35 C ATOM 541 C VAL A 32 5.483 -8.525 -1.097 1.00 52.21 C ATOM 542 O VAL A 32 4.441 -7.977 -1.450 1.00 15.11 O ATOM 543 CB VAL A 32 6.216 -7.664 1.142 1.00 63.20 C ATOM 544 CG1 VAL A 32 5.950 -9.054 1.711 1.00 63.24 C ATOM 545 CG2 VAL A 32 7.312 -6.950 1.937 1.00 30.54 C ATOM 0 H VAL A 32 5.999 -5.757 -0.730 1.00 20.14 H new ATOM 0 HA VAL A 32 7.526 -8.268 -0.504 1.00 60.35 H new ATOM 0 HB VAL A 32 5.298 -7.083 1.234 1.00 63.20 H new ATOM 0 HG11 VAL A 32 5.694 -8.972 2.767 1.00 63.24 H new ATOM 0 HG12 VAL A 32 5.123 -9.516 1.172 1.00 63.24 H new ATOM 0 HG13 VAL A 32 6.843 -9.669 1.601 1.00 63.24 H new ATOM 0 HG21 VAL A 32 7.031 -6.910 2.989 1.00 30.54 H new ATOM 0 HG22 VAL A 32 8.250 -7.495 1.833 1.00 30.54 H new ATOM 0 HG23 VAL A 32 7.436 -5.936 1.556 1.00 30.54 H new ATOM 555 N ARG A 33 5.733 -9.817 -1.325 1.00 14.40 N ATOM 556 CA ARG A 33 4.708 -10.739 -1.846 1.00 33.34 C ATOM 557 C ARG A 33 4.673 -12.042 -1.011 1.00 70.35 C ATOM 558 O ARG A 33 3.930 -12.978 -1.314 1.00 63.44 O ATOM 559 CB ARG A 33 4.980 -11.053 -3.330 1.00 62.30 C ATOM 560 CG ARG A 33 3.845 -11.808 -4.028 1.00 22.53 C ATOM 561 CD ARG A 33 4.192 -12.150 -5.474 1.00 22.10 C ATOM 562 NE ARG A 33 3.137 -12.927 -6.125 1.00 25.42 N ATOM 563 CZ ARG A 33 3.357 -13.907 -6.959 1.00 15.02 C ATOM 564 NH1 ARG A 33 4.564 -14.286 -7.237 1.00 2.21 N ATOM 565 NH2 ARG A 33 2.359 -14.518 -7.502 1.00 21.21 N ATOM 0 H ARG A 33 6.639 -10.254 -1.158 1.00 14.40 H new ATOM 0 HA ARG A 33 3.734 -10.257 -1.766 1.00 33.34 H new ATOM 0 HB2 ARG A 33 5.160 -10.118 -3.861 1.00 62.30 H new ATOM 0 HB3 ARG A 33 5.894 -11.643 -3.404 1.00 62.30 H new ATOM 0 HG2 ARG A 33 3.629 -12.725 -3.480 1.00 22.53 H new ATOM 0 HG3 ARG A 33 2.939 -11.202 -4.006 1.00 22.53 H new ATOM 0 HD2 ARG A 33 4.361 -11.230 -6.033 1.00 22.10 H new ATOM 0 HD3 ARG A 33 5.125 -12.714 -5.499 1.00 22.10 H new ATOM 0 HE ARG A 33 2.168 -12.688 -5.914 1.00 25.42 H new ATOM 0 HH11 ARG A 33 5.359 -13.817 -6.802 1.00 2.21 H new ATOM 0 HH12 ARG A 33 4.720 -15.053 -7.891 1.00 2.21 H new ATOM 0 HH21 ARG A 33 1.405 -14.235 -7.279 1.00 21.21 H new ATOM 0 HH22 ARG A 33 2.524 -15.284 -8.154 1.00 21.21 H new ATOM 579 N SER A 34 5.476 -12.083 0.058 1.00 34.33 N ATOM 580 CA SER A 34 5.560 -13.258 0.948 1.00 51.44 C ATOM 581 C SER A 34 5.173 -12.890 2.393 1.00 0.35 C ATOM 582 O SER A 34 5.485 -11.795 2.863 1.00 2.54 O ATOM 583 CB SER A 34 6.985 -13.838 0.944 1.00 74.31 C ATOM 584 OG SER A 34 7.399 -14.211 -0.364 1.00 60.35 O ATOM 0 H SER A 34 6.084 -11.312 0.334 1.00 34.33 H new ATOM 0 HA SER A 34 4.860 -14.003 0.571 1.00 51.44 H new ATOM 0 HB2 SER A 34 7.679 -13.101 1.349 1.00 74.31 H new ATOM 0 HB3 SER A 34 7.025 -14.708 1.600 1.00 74.31 H new ATOM 0 HG SER A 34 8.309 -14.573 -0.328 1.00 60.35 H new ATOM 590 N PRO A 35 4.520 -13.811 3.132 1.00 54.24 N ATOM 591 CA PRO A 35 4.075 -13.551 4.518 1.00 5.10 C ATOM 592 C PRO A 35 5.230 -13.165 5.462 1.00 62.43 C ATOM 593 O PRO A 35 5.111 -12.223 6.250 1.00 21.33 O ATOM 594 CB PRO A 35 3.433 -14.883 4.953 1.00 23.45 C ATOM 595 CG PRO A 35 3.954 -15.899 3.991 1.00 72.13 C ATOM 596 CD PRO A 35 4.159 -15.171 2.691 1.00 60.33 C ATOM 0 HA PRO A 35 3.393 -12.702 4.564 1.00 5.10 H new ATOM 0 HB2 PRO A 35 3.705 -15.135 5.978 1.00 23.45 H new ATOM 0 HB3 PRO A 35 2.345 -14.827 4.916 1.00 23.45 H new ATOM 0 HG2 PRO A 35 4.889 -16.331 4.348 1.00 72.13 H new ATOM 0 HG3 PRO A 35 3.248 -16.721 3.871 1.00 72.13 H new ATOM 0 HD2 PRO A 35 4.949 -15.625 2.093 1.00 60.33 H new ATOM 0 HD3 PRO A 35 3.256 -15.172 2.080 1.00 60.33 H new ATOM 604 N GLN A 36 6.348 -13.893 5.373 1.00 34.35 N ATOM 605 CA GLN A 36 7.527 -13.624 6.210 1.00 54.41 C ATOM 606 C GLN A 36 8.006 -12.165 6.093 1.00 73.14 C ATOM 607 O GLN A 36 8.221 -11.499 7.102 1.00 1.05 O ATOM 608 CB GLN A 36 8.672 -14.593 5.860 1.00 44.53 C ATOM 609 CG GLN A 36 9.014 -14.651 4.372 1.00 54.31 C ATOM 610 CD GLN A 36 10.234 -15.513 4.083 1.00 33.41 C ATOM 611 OE1 GLN A 36 11.360 -15.026 4.036 1.00 53.33 O ATOM 612 NE2 GLN A 36 10.024 -16.799 3.887 1.00 74.25 N ATOM 0 H GLN A 36 6.463 -14.675 4.729 1.00 34.35 H new ATOM 0 HA GLN A 36 7.227 -13.785 7.246 1.00 54.41 H new ATOM 0 HB2 GLN A 36 9.563 -14.299 6.414 1.00 44.53 H new ATOM 0 HB3 GLN A 36 8.402 -15.593 6.198 1.00 44.53 H new ATOM 0 HG2 GLN A 36 8.159 -15.043 3.822 1.00 54.31 H new ATOM 0 HG3 GLN A 36 9.193 -13.640 4.005 1.00 54.31 H new ATOM 0 HE21 GLN A 36 9.076 -17.174 3.933 1.00 74.25 H new ATOM 0 HE22 GLN A 36 10.809 -17.420 3.690 1.00 74.25 H new ATOM 621 N GLU A 37 8.156 -11.664 4.864 1.00 33.04 N ATOM 622 CA GLU A 37 8.623 -10.287 4.643 1.00 13.33 C ATOM 623 C GLU A 37 7.588 -9.244 5.097 1.00 24.02 C ATOM 624 O GLU A 37 7.950 -8.163 5.566 1.00 61.23 O ATOM 625 CB GLU A 37 8.979 -10.074 3.164 1.00 72.22 C ATOM 626 CG GLU A 37 10.265 -10.770 2.729 1.00 43.33 C ATOM 627 CD GLU A 37 11.496 -10.204 3.424 1.00 12.52 C ATOM 628 OE1 GLU A 37 12.042 -9.184 2.940 1.00 22.23 O ATOM 629 OE2 GLU A 37 11.924 -10.772 4.453 1.00 52.01 O ATOM 0 H GLU A 37 7.963 -12.186 4.009 1.00 33.04 H new ATOM 0 HA GLU A 37 9.516 -10.146 5.252 1.00 13.33 H new ATOM 0 HB2 GLU A 37 8.156 -10.435 2.547 1.00 72.22 H new ATOM 0 HB3 GLU A 37 9.074 -9.005 2.974 1.00 72.22 H new ATOM 0 HG2 GLU A 37 10.188 -11.836 2.943 1.00 43.33 H new ATOM 0 HG3 GLU A 37 10.382 -10.669 1.650 1.00 43.33 H new ATOM 636 N LEU A 38 6.305 -9.568 4.951 1.00 52.34 N ATOM 637 CA LEU A 38 5.225 -8.697 5.436 1.00 63.13 C ATOM 638 C LEU A 38 5.314 -8.525 6.962 1.00 2.44 C ATOM 639 O LEU A 38 5.392 -7.407 7.476 1.00 31.41 O ATOM 640 CB LEU A 38 3.863 -9.293 5.049 1.00 61.40 C ATOM 641 CG LEU A 38 2.630 -8.511 5.537 1.00 10.21 C ATOM 642 CD1 LEU A 38 2.581 -7.116 4.912 1.00 53.42 C ATOM 643 CD2 LEU A 38 1.348 -9.289 5.235 1.00 22.43 C ATOM 0 H LEU A 38 5.983 -10.425 4.502 1.00 52.34 H new ATOM 0 HA LEU A 38 5.331 -7.716 4.973 1.00 63.13 H new ATOM 0 HB2 LEU A 38 3.816 -9.369 3.963 1.00 61.40 H new ATOM 0 HB3 LEU A 38 3.806 -10.308 5.442 1.00 61.40 H new ATOM 0 HG LEU A 38 2.711 -8.389 6.617 1.00 10.21 H new ATOM 0 HD11 LEU A 38 1.700 -6.586 5.274 1.00 53.42 H new ATOM 0 HD12 LEU A 38 3.478 -6.562 5.189 1.00 53.42 H new ATOM 0 HD13 LEU A 38 2.530 -7.205 3.827 1.00 53.42 H new ATOM 0 HD21 LEU A 38 0.487 -8.721 5.587 1.00 22.43 H new ATOM 0 HD22 LEU A 38 1.263 -9.448 4.160 1.00 22.43 H new ATOM 0 HD23 LEU A 38 1.379 -10.253 5.743 1.00 22.43 H new ATOM 655 N LYS A 39 5.311 -9.652 7.669 1.00 61.45 N ATOM 656 CA LYS A 39 5.464 -9.670 9.126 1.00 44.41 C ATOM 657 C LYS A 39 6.783 -9.007 9.555 1.00 15.34 C ATOM 658 O LYS A 39 6.818 -8.231 10.510 1.00 31.25 O ATOM 659 CB LYS A 39 5.404 -11.122 9.624 1.00 62.55 C ATOM 660 CG LYS A 39 5.678 -11.296 11.113 1.00 53.41 C ATOM 661 CD LYS A 39 5.478 -12.747 11.555 1.00 14.01 C ATOM 662 CE LYS A 39 6.362 -13.717 10.770 1.00 53.43 C ATOM 663 NZ LYS A 39 6.094 -15.132 11.142 1.00 44.10 N ATOM 0 H LYS A 39 5.203 -10.577 7.252 1.00 61.45 H new ATOM 0 HA LYS A 39 4.650 -9.098 9.572 1.00 44.41 H new ATOM 0 HB2 LYS A 39 4.418 -11.528 9.400 1.00 62.55 H new ATOM 0 HB3 LYS A 39 6.127 -11.714 9.064 1.00 62.55 H new ATOM 0 HG2 LYS A 39 6.699 -10.985 11.335 1.00 53.41 H new ATOM 0 HG3 LYS A 39 5.015 -10.646 11.684 1.00 53.41 H new ATOM 0 HD2 LYS A 39 5.700 -12.835 12.618 1.00 14.01 H new ATOM 0 HD3 LYS A 39 4.432 -13.024 11.424 1.00 14.01 H new ATOM 0 HE2 LYS A 39 6.190 -13.583 9.702 1.00 53.43 H new ATOM 0 HE3 LYS A 39 7.411 -13.485 10.955 1.00 53.43 H new ATOM 0 HZ1 LYS A 39 6.712 -15.759 10.589 1.00 44.10 H new ATOM 0 HZ2 LYS A 39 6.282 -15.266 12.156 1.00 44.10 H new ATOM 0 HZ3 LYS A 39 5.100 -15.361 10.941 1.00 44.10 H new ATOM 677 N ASP A 40 7.858 -9.317 8.831 1.00 45.40 N ATOM 678 CA ASP A 40 9.182 -8.749 9.102 1.00 43.33 C ATOM 679 C ASP A 40 9.167 -7.209 9.024 1.00 11.51 C ATOM 680 O ASP A 40 9.620 -6.525 9.943 1.00 31.21 O ATOM 681 CB ASP A 40 10.198 -9.327 8.110 1.00 73.13 C ATOM 682 CG ASP A 40 11.615 -8.852 8.369 1.00 22.32 C ATOM 683 OD1 ASP A 40 12.199 -9.241 9.400 1.00 74.21 O ATOM 684 OD2 ASP A 40 12.157 -8.093 7.538 1.00 63.31 O ATOM 0 H ASP A 40 7.838 -9.965 8.044 1.00 45.40 H new ATOM 0 HA ASP A 40 9.470 -9.019 10.118 1.00 43.33 H new ATOM 0 HB2 ASP A 40 10.170 -10.415 8.163 1.00 73.13 H new ATOM 0 HB3 ASP A 40 9.907 -9.049 7.097 1.00 73.13 H new ATOM 689 N SER A 41 8.622 -6.674 7.931 1.00 3.21 N ATOM 690 CA SER A 41 8.562 -5.216 7.715 1.00 45.14 C ATOM 691 C SER A 41 7.793 -4.502 8.836 1.00 44.23 C ATOM 692 O SER A 41 8.073 -3.346 9.162 1.00 11.34 O ATOM 693 CB SER A 41 7.912 -4.902 6.359 1.00 63.40 C ATOM 694 OG SER A 41 8.006 -3.520 6.044 1.00 33.43 O ATOM 0 H SER A 41 8.213 -7.225 7.176 1.00 3.21 H new ATOM 0 HA SER A 41 9.587 -4.846 7.722 1.00 45.14 H new ATOM 0 HB2 SER A 41 8.396 -5.488 5.578 1.00 63.40 H new ATOM 0 HB3 SER A 41 6.864 -5.201 6.379 1.00 63.40 H new ATOM 0 HG SER A 41 7.888 -3.396 5.079 1.00 33.43 H new ATOM 863 N ALA A 51 11.230 5.872 8.256 1.00 73.54 N ATOM 864 CA ALA A 51 10.459 6.283 7.079 1.00 50.54 C ATOM 865 C ALA A 51 10.433 5.170 6.014 1.00 53.41 C ATOM 866 O ALA A 51 11.015 5.306 4.934 1.00 74.21 O ATOM 867 CB ALA A 51 11.040 7.572 6.506 1.00 71.53 C ATOM 0 HA ALA A 51 9.429 6.466 7.384 1.00 50.54 H new ATOM 0 HB1 ALA A 51 10.464 7.874 5.631 1.00 71.53 H new ATOM 0 HB2 ALA A 51 10.994 8.358 7.260 1.00 71.53 H new ATOM 0 HB3 ALA A 51 12.078 7.406 6.217 1.00 71.53 H new ATOM 873 N THR A 52 9.759 4.067 6.333 1.00 73.24 N ATOM 874 CA THR A 52 9.721 2.887 5.457 1.00 55.35 C ATOM 875 C THR A 52 8.305 2.609 4.942 1.00 1.52 C ATOM 876 O THR A 52 7.426 2.200 5.697 1.00 52.12 O ATOM 877 CB THR A 52 10.241 1.622 6.189 1.00 62.22 C ATOM 878 OG1 THR A 52 11.590 1.825 6.645 1.00 34.13 O ATOM 879 CG2 THR A 52 10.194 0.394 5.281 1.00 73.40 C ATOM 0 H THR A 52 9.227 3.961 7.197 1.00 73.24 H new ATOM 0 HA THR A 52 10.372 3.111 4.612 1.00 55.35 H new ATOM 0 HB THR A 52 9.588 1.447 7.044 1.00 62.22 H new ATOM 0 HG1 THR A 52 11.904 1.019 7.106 1.00 34.13 H new ATOM 0 HG21 THR A 52 10.565 -0.475 5.825 1.00 73.40 H new ATOM 0 HG22 THR A 52 9.166 0.213 4.966 1.00 73.40 H new ATOM 0 HG23 THR A 52 10.817 0.566 4.403 1.00 73.40 H new ATOM 887 N ILE A 53 8.093 2.840 3.651 1.00 25.41 N ATOM 888 CA ILE A 53 6.811 2.541 3.011 1.00 55.12 C ATOM 889 C ILE A 53 6.801 1.103 2.463 1.00 30.43 C ATOM 890 O ILE A 53 7.558 0.767 1.547 1.00 44.21 O ATOM 891 CB ILE A 53 6.513 3.529 1.852 1.00 15.25 C ATOM 892 CG1 ILE A 53 6.610 4.984 2.353 1.00 21.33 C ATOM 893 CG2 ILE A 53 5.134 3.252 1.248 1.00 1.30 C ATOM 894 CD1 ILE A 53 6.271 6.023 1.303 1.00 23.32 C ATOM 0 H ILE A 53 8.793 3.235 3.023 1.00 25.41 H new ATOM 0 HA ILE A 53 6.037 2.648 3.771 1.00 55.12 H new ATOM 0 HB ILE A 53 7.259 3.384 1.070 1.00 15.25 H new ATOM 0 HG12 ILE A 53 5.940 5.110 3.203 1.00 21.33 H new ATOM 0 HG13 ILE A 53 7.622 5.166 2.715 1.00 21.33 H new ATOM 0 HG21 ILE A 53 4.944 3.955 0.437 1.00 1.30 H new ATOM 0 HG22 ILE A 53 5.105 2.234 0.860 1.00 1.30 H new ATOM 0 HG23 ILE A 53 4.370 3.369 2.016 1.00 1.30 H new ATOM 0 HD11 ILE A 53 6.363 7.020 1.734 1.00 23.32 H new ATOM 0 HD12 ILE A 53 6.957 5.927 0.461 1.00 23.32 H new ATOM 0 HD13 ILE A 53 5.249 5.870 0.957 1.00 23.32 H new ATOM 906 N VAL A 54 5.949 0.254 3.028 1.00 2.43 N ATOM 907 CA VAL A 54 5.867 -1.145 2.595 1.00 55.24 C ATOM 908 C VAL A 54 4.812 -1.333 1.488 1.00 12.43 C ATOM 909 O VAL A 54 3.651 -0.943 1.633 1.00 54.23 O ATOM 910 CB VAL A 54 5.577 -2.099 3.786 1.00 2.52 C ATOM 911 CG1 VAL A 54 4.222 -1.800 4.429 1.00 30.40 C ATOM 912 CG2 VAL A 54 5.670 -3.562 3.347 1.00 62.32 C ATOM 0 H VAL A 54 5.308 0.503 3.781 1.00 2.43 H new ATOM 0 HA VAL A 54 6.842 -1.405 2.184 1.00 55.24 H new ATOM 0 HB VAL A 54 6.341 -1.924 4.544 1.00 2.52 H new ATOM 0 HG11 VAL A 54 4.053 -2.487 5.258 1.00 30.40 H new ATOM 0 HG12 VAL A 54 4.213 -0.775 4.799 1.00 30.40 H new ATOM 0 HG13 VAL A 54 3.432 -1.925 3.688 1.00 30.40 H new ATOM 0 HG21 VAL A 54 5.463 -4.211 4.198 1.00 62.32 H new ATOM 0 HG22 VAL A 54 4.941 -3.753 2.559 1.00 62.32 H new ATOM 0 HG23 VAL A 54 6.672 -3.766 2.970 1.00 62.32 H new ATOM 922 N VAL A 55 5.231 -1.926 0.375 1.00 54.04 N ATOM 923 CA VAL A 55 4.354 -2.127 -0.780 1.00 21.10 C ATOM 924 C VAL A 55 4.036 -3.616 -0.983 1.00 1.42 C ATOM 925 O VAL A 55 4.887 -4.389 -1.423 1.00 52.21 O ATOM 926 CB VAL A 55 4.992 -1.561 -2.075 1.00 14.33 C ATOM 927 CG1 VAL A 55 4.027 -1.686 -3.254 1.00 12.41 C ATOM 928 CG2 VAL A 55 5.426 -0.109 -1.876 1.00 64.23 C ATOM 0 H VAL A 55 6.179 -2.279 0.245 1.00 54.04 H new ATOM 0 HA VAL A 55 3.429 -1.589 -0.574 1.00 21.10 H new ATOM 0 HB VAL A 55 5.880 -2.150 -2.302 1.00 14.33 H new ATOM 0 HG11 VAL A 55 4.495 -1.283 -4.152 1.00 12.41 H new ATOM 0 HG12 VAL A 55 3.781 -2.736 -3.413 1.00 12.41 H new ATOM 0 HG13 VAL A 55 3.115 -1.129 -3.039 1.00 12.41 H new ATOM 0 HG21 VAL A 55 5.871 0.267 -2.797 1.00 64.23 H new ATOM 0 HG22 VAL A 55 4.558 0.498 -1.618 1.00 64.23 H new ATOM 0 HG23 VAL A 55 6.159 -0.055 -1.071 1.00 64.23 H new ATOM 938 N VAL A 56 2.812 -4.012 -0.654 1.00 21.33 N ATOM 939 CA VAL A 56 2.383 -5.405 -0.798 1.00 23.13 C ATOM 940 C VAL A 56 1.893 -5.694 -2.228 1.00 3.53 C ATOM 941 O VAL A 56 0.819 -5.246 -2.642 1.00 64.40 O ATOM 942 CB VAL A 56 1.262 -5.758 0.215 1.00 53.51 C ATOM 943 CG1 VAL A 56 0.910 -7.245 0.148 1.00 30.41 C ATOM 944 CG2 VAL A 56 1.670 -5.359 1.633 1.00 41.43 C ATOM 0 H VAL A 56 2.094 -3.389 -0.284 1.00 21.33 H new ATOM 0 HA VAL A 56 3.253 -6.028 -0.591 1.00 23.13 H new ATOM 0 HB VAL A 56 0.372 -5.191 -0.056 1.00 53.51 H new ATOM 0 HG11 VAL A 56 0.122 -7.465 0.868 1.00 30.41 H new ATOM 0 HG12 VAL A 56 0.564 -7.492 -0.856 1.00 30.41 H new ATOM 0 HG13 VAL A 56 1.793 -7.839 0.384 1.00 30.41 H new ATOM 0 HG21 VAL A 56 0.870 -5.615 2.328 1.00 41.43 H new ATOM 0 HG22 VAL A 56 2.579 -5.892 1.914 1.00 41.43 H new ATOM 0 HG23 VAL A 56 1.853 -4.285 1.670 1.00 41.43 H new ATOM 954 N VAL A 57 2.698 -6.430 -2.987 1.00 44.24 N ATOM 955 CA VAL A 57 2.339 -6.822 -4.352 1.00 24.21 C ATOM 956 C VAL A 57 1.475 -8.089 -4.337 1.00 22.22 C ATOM 957 O VAL A 57 1.934 -9.165 -3.948 1.00 22.44 O ATOM 958 CB VAL A 57 3.597 -7.066 -5.217 1.00 52.10 C ATOM 959 CG1 VAL A 57 3.211 -7.376 -6.663 1.00 12.03 C ATOM 960 CG2 VAL A 57 4.537 -5.864 -5.145 1.00 72.43 C ATOM 0 H VAL A 57 3.609 -6.770 -2.681 1.00 44.24 H new ATOM 0 HA VAL A 57 1.771 -6.001 -4.790 1.00 24.21 H new ATOM 0 HB VAL A 57 4.124 -7.933 -4.820 1.00 52.10 H new ATOM 0 HG11 VAL A 57 4.113 -7.544 -7.252 1.00 12.03 H new ATOM 0 HG12 VAL A 57 2.588 -8.270 -6.690 1.00 12.03 H new ATOM 0 HG13 VAL A 57 2.657 -6.535 -7.080 1.00 12.03 H new ATOM 0 HG21 VAL A 57 5.417 -6.053 -5.760 1.00 72.43 H new ATOM 0 HG22 VAL A 57 4.022 -4.977 -5.512 1.00 72.43 H new ATOM 0 HG23 VAL A 57 4.844 -5.704 -4.111 1.00 72.43 H new ATOM 970 N VAL A 58 0.224 -7.960 -4.761 1.00 54.01 N ATOM 971 CA VAL A 58 -0.737 -9.060 -4.670 1.00 1.43 C ATOM 972 C VAL A 58 -1.262 -9.495 -6.046 1.00 31.33 C ATOM 973 O VAL A 58 -1.424 -8.680 -6.956 1.00 40.11 O ATOM 974 CB VAL A 58 -1.938 -8.671 -3.770 1.00 51.44 C ATOM 975 CG1 VAL A 58 -1.460 -8.281 -2.373 1.00 71.31 C ATOM 976 CG2 VAL A 58 -2.756 -7.542 -4.397 1.00 54.42 C ATOM 0 H VAL A 58 -0.152 -7.106 -5.172 1.00 54.01 H new ATOM 0 HA VAL A 58 -0.200 -9.900 -4.229 1.00 1.43 H new ATOM 0 HB VAL A 58 -2.586 -9.543 -3.681 1.00 51.44 H new ATOM 0 HG11 VAL A 58 -2.318 -8.011 -1.757 1.00 71.31 H new ATOM 0 HG12 VAL A 58 -0.937 -9.123 -1.919 1.00 71.31 H new ATOM 0 HG13 VAL A 58 -0.783 -7.430 -2.445 1.00 71.31 H new ATOM 0 HG21 VAL A 58 -3.591 -7.291 -3.743 1.00 54.42 H new ATOM 0 HG22 VAL A 58 -2.123 -6.665 -4.530 1.00 54.42 H new ATOM 0 HG23 VAL A 58 -3.138 -7.864 -5.366 1.00 54.42 H new ATOM 986 N ASP A 59 -1.503 -10.793 -6.191 1.00 35.33 N ATOM 987 CA ASP A 59 -2.161 -11.339 -7.382 1.00 43.42 C ATOM 988 C ASP A 59 -3.529 -11.954 -7.015 1.00 40.04 C ATOM 989 O ASP A 59 -4.188 -12.590 -7.843 1.00 53.41 O ATOM 990 CB ASP A 59 -1.244 -12.370 -8.057 1.00 1.03 C ATOM 991 CG ASP A 59 -0.730 -13.423 -7.090 1.00 5.12 C ATOM 992 OD1 ASP A 59 0.200 -13.122 -6.310 1.00 71.24 O ATOM 993 OD2 ASP A 59 -1.241 -14.559 -7.112 1.00 53.11 O ATOM 0 H ASP A 59 -1.252 -11.495 -5.495 1.00 35.33 H new ATOM 0 HA ASP A 59 -2.346 -10.531 -8.090 1.00 43.42 H new ATOM 0 HB2 ASP A 59 -1.788 -12.860 -8.865 1.00 1.03 H new ATOM 0 HB3 ASP A 59 -0.397 -11.855 -8.510 1.00 1.03 H new ATOM 998 N ASP A 60 -3.950 -11.736 -5.768 1.00 14.21 N ATOM 999 CA ASP A 60 -5.240 -12.226 -5.262 1.00 2.54 C ATOM 1000 C ASP A 60 -5.758 -11.314 -4.134 1.00 3.34 C ATOM 1001 O ASP A 60 -4.981 -10.851 -3.295 1.00 45.41 O ATOM 1002 CB ASP A 60 -5.095 -13.671 -4.761 1.00 43.00 C ATOM 1003 CG ASP A 60 -6.384 -14.219 -4.171 1.00 3.32 C ATOM 1004 OD1 ASP A 60 -7.279 -14.622 -4.945 1.00 21.10 O ATOM 1005 OD2 ASP A 60 -6.513 -14.235 -2.932 1.00 55.33 O ATOM 0 H ASP A 60 -3.409 -11.215 -5.078 1.00 14.21 H new ATOM 0 HA ASP A 60 -5.965 -12.209 -6.076 1.00 2.54 H new ATOM 0 HB2 ASP A 60 -4.779 -14.308 -5.587 1.00 43.00 H new ATOM 0 HB3 ASP A 60 -4.309 -13.713 -4.007 1.00 43.00 H new ATOM 1010 N LYS A 61 -7.070 -11.064 -4.108 1.00 51.34 N ATOM 1011 CA LYS A 61 -7.656 -10.122 -3.143 1.00 64.44 C ATOM 1012 C LYS A 61 -7.633 -10.659 -1.698 1.00 52.32 C ATOM 1013 O LYS A 61 -7.554 -9.879 -0.751 1.00 3.32 O ATOM 1014 CB LYS A 61 -9.088 -9.717 -3.569 1.00 15.32 C ATOM 1015 CG LYS A 61 -10.121 -10.853 -3.598 1.00 1.22 C ATOM 1016 CD LYS A 61 -10.694 -11.174 -2.214 1.00 42.14 C ATOM 1017 CE LYS A 61 -11.405 -9.978 -1.585 1.00 0.24 C ATOM 1018 NZ LYS A 61 -12.650 -9.616 -2.313 1.00 31.31 N ATOM 0 H LYS A 61 -7.745 -11.496 -4.739 1.00 51.34 H new ATOM 0 HA LYS A 61 -7.029 -9.231 -3.150 1.00 64.44 H new ATOM 0 HB2 LYS A 61 -9.445 -8.944 -2.888 1.00 15.32 H new ATOM 0 HB3 LYS A 61 -9.039 -9.270 -4.562 1.00 15.32 H new ATOM 0 HG2 LYS A 61 -10.936 -10.579 -4.268 1.00 1.22 H new ATOM 0 HG3 LYS A 61 -9.657 -11.749 -4.010 1.00 1.22 H new ATOM 0 HD2 LYS A 61 -11.393 -12.006 -2.298 1.00 42.14 H new ATOM 0 HD3 LYS A 61 -9.888 -11.500 -1.557 1.00 42.14 H new ATOM 0 HE2 LYS A 61 -11.647 -10.206 -0.547 1.00 0.24 H new ATOM 0 HE3 LYS A 61 -10.731 -9.122 -1.574 1.00 0.24 H new ATOM 0 HZ1 LYS A 61 -13.107 -8.810 -1.840 1.00 31.31 H new ATOM 0 HZ2 LYS A 61 -12.416 -9.356 -3.292 1.00 31.31 H new ATOM 0 HZ3 LYS A 61 -13.299 -10.429 -2.316 1.00 31.31 H new ATOM 1032 N GLU A 62 -7.698 -11.983 -1.522 1.00 23.24 N ATOM 1033 CA GLU A 62 -7.653 -12.577 -0.176 1.00 53.14 C ATOM 1034 C GLU A 62 -6.218 -12.588 0.364 1.00 74.21 C ATOM 1035 O GLU A 62 -5.999 -12.492 1.575 1.00 52.03 O ATOM 1036 CB GLU A 62 -8.245 -13.994 -0.170 1.00 31.11 C ATOM 1037 CG GLU A 62 -9.742 -14.031 -0.456 1.00 12.24 C ATOM 1038 CD GLU A 62 -10.317 -15.434 -0.378 1.00 51.12 C ATOM 1039 OE1 GLU A 62 -10.220 -16.171 -1.383 1.00 43.42 O ATOM 1040 OE2 GLU A 62 -10.845 -15.810 0.691 1.00 1.13 O ATOM 0 H GLU A 62 -7.781 -12.658 -2.282 1.00 23.24 H new ATOM 0 HA GLU A 62 -8.264 -11.958 0.481 1.00 53.14 H new ATOM 0 HB2 GLU A 62 -7.726 -14.599 -0.914 1.00 31.11 H new ATOM 0 HB3 GLU A 62 -8.058 -14.453 0.801 1.00 31.11 H new ATOM 0 HG2 GLU A 62 -10.260 -13.390 0.257 1.00 12.24 H new ATOM 0 HG3 GLU A 62 -9.929 -13.620 -1.448 1.00 12.24 H new ATOM 1047 N TRP A 63 -5.245 -12.715 -0.536 1.00 12.34 N ATOM 1048 CA TRP A 63 -3.841 -12.504 -0.178 1.00 43.32 C ATOM 1049 C TRP A 63 -3.640 -11.058 0.303 1.00 51.40 C ATOM 1050 O TRP A 63 -2.986 -10.809 1.317 1.00 43.22 O ATOM 1051 CB TRP A 63 -2.924 -12.821 -1.373 1.00 2.10 C ATOM 1052 CG TRP A 63 -1.494 -12.402 -1.170 1.00 33.35 C ATOM 1053 CD1 TRP A 63 -0.737 -11.650 -2.024 1.00 61.52 C ATOM 1054 CD2 TRP A 63 -0.654 -12.690 -0.040 1.00 45.44 C ATOM 1055 NE1 TRP A 63 0.514 -11.449 -1.497 1.00 52.34 N ATOM 1056 CE2 TRP A 63 0.590 -12.080 -0.281 1.00 63.22 C ATOM 1057 CE3 TRP A 63 -0.836 -13.400 1.150 1.00 31.22 C ATOM 1058 CZ2 TRP A 63 1.645 -12.158 0.624 1.00 24.41 C ATOM 1059 CZ3 TRP A 63 0.213 -13.479 2.046 1.00 11.23 C ATOM 1060 CH2 TRP A 63 1.440 -12.858 1.779 1.00 2.25 C ATOM 0 H TRP A 63 -5.400 -12.962 -1.514 1.00 12.34 H new ATOM 0 HA TRP A 63 -3.575 -13.181 0.634 1.00 43.32 H new ATOM 0 HB2 TRP A 63 -2.954 -13.893 -1.568 1.00 2.10 H new ATOM 0 HB3 TRP A 63 -3.316 -12.325 -2.261 1.00 2.10 H new ATOM 0 HD1 TRP A 63 -1.075 -11.269 -2.976 1.00 61.52 H new ATOM 0 HE1 TRP A 63 1.265 -10.917 -1.937 1.00 52.34 H new ATOM 0 HE3 TRP A 63 -1.780 -13.879 1.365 1.00 31.22 H new ATOM 0 HZ2 TRP A 63 2.593 -11.682 0.420 1.00 24.41 H new ATOM 0 HZ3 TRP A 63 0.085 -14.028 2.967 1.00 11.23 H new ATOM 0 HH2 TRP A 63 2.240 -12.934 2.501 1.00 2.25 H new ATOM 1071 N ALA A 64 -4.235 -10.112 -0.422 1.00 35.44 N ATOM 1072 CA ALA A 64 -4.231 -8.706 -0.012 1.00 70.23 C ATOM 1073 C ALA A 64 -4.949 -8.512 1.334 1.00 73.24 C ATOM 1074 O ALA A 64 -4.468 -7.790 2.212 1.00 61.40 O ATOM 1075 CB ALA A 64 -4.883 -7.843 -1.088 1.00 40.02 C ATOM 0 H ALA A 64 -4.727 -10.293 -1.297 1.00 35.44 H new ATOM 0 HA ALA A 64 -3.194 -8.396 0.115 1.00 70.23 H new ATOM 0 HB1 ALA A 64 -4.874 -6.800 -0.772 1.00 40.02 H new ATOM 0 HB2 ALA A 64 -4.329 -7.944 -2.021 1.00 40.02 H new ATOM 0 HB3 ALA A 64 -5.912 -8.167 -1.240 1.00 40.02 H new ATOM 1081 N GLU A 65 -6.100 -9.170 1.497 1.00 45.04 N ATOM 1082 CA GLU A 65 -6.869 -9.072 2.741 1.00 45.02 C ATOM 1083 C GLU A 65 -6.101 -9.669 3.926 1.00 15.03 C ATOM 1084 O GLU A 65 -6.266 -9.225 5.057 1.00 43.21 O ATOM 1085 CB GLU A 65 -8.237 -9.761 2.622 1.00 23.50 C ATOM 1086 CG GLU A 65 -9.096 -9.582 3.874 1.00 23.41 C ATOM 1087 CD GLU A 65 -10.408 -10.348 3.830 1.00 24.50 C ATOM 1088 OE1 GLU A 65 -11.375 -9.851 3.218 1.00 11.01 O ATOM 1089 OE2 GLU A 65 -10.493 -11.425 4.452 1.00 73.30 O ATOM 0 H GLU A 65 -6.518 -9.773 0.788 1.00 45.04 H new ATOM 0 HA GLU A 65 -7.028 -8.009 2.921 1.00 45.02 H new ATOM 0 HB2 GLU A 65 -8.769 -9.358 1.760 1.00 23.50 H new ATOM 0 HB3 GLU A 65 -8.089 -10.825 2.436 1.00 23.50 H new ATOM 0 HG2 GLU A 65 -8.526 -9.906 4.744 1.00 23.41 H new ATOM 0 HG3 GLU A 65 -9.309 -8.522 4.009 1.00 23.41 H new ATOM 1096 N LYS A 66 -5.267 -10.678 3.674 1.00 63.11 N ATOM 1097 CA LYS A 66 -4.451 -11.277 4.738 1.00 72.23 C ATOM 1098 C LYS A 66 -3.546 -10.220 5.394 1.00 34.52 C ATOM 1099 O LYS A 66 -3.310 -10.249 6.602 1.00 74.14 O ATOM 1100 CB LYS A 66 -3.610 -12.443 4.193 1.00 42.12 C ATOM 1101 CG LYS A 66 -2.730 -13.111 5.252 1.00 34.04 C ATOM 1102 CD LYS A 66 -2.052 -14.378 4.732 1.00 3.12 C ATOM 1103 CE LYS A 66 -3.070 -15.440 4.334 1.00 3.33 C ATOM 1104 NZ LYS A 66 -2.426 -16.723 3.951 1.00 65.03 N ATOM 0 H LYS A 66 -5.137 -11.097 2.753 1.00 63.11 H new ATOM 0 HA LYS A 66 -5.126 -11.669 5.498 1.00 72.23 H new ATOM 0 HB2 LYS A 66 -4.276 -13.190 3.762 1.00 42.12 H new ATOM 0 HB3 LYS A 66 -2.977 -12.077 3.385 1.00 42.12 H new ATOM 0 HG2 LYS A 66 -1.969 -12.406 5.585 1.00 34.04 H new ATOM 0 HG3 LYS A 66 -3.338 -13.359 6.122 1.00 34.04 H new ATOM 0 HD2 LYS A 66 -1.429 -14.131 3.872 1.00 3.12 H new ATOM 0 HD3 LYS A 66 -1.390 -14.778 5.500 1.00 3.12 H new ATOM 0 HE2 LYS A 66 -3.754 -15.613 5.164 1.00 3.33 H new ATOM 0 HE3 LYS A 66 -3.668 -15.073 3.500 1.00 3.33 H new ATOM 0 HZ1 LYS A 66 -3.158 -17.414 3.688 1.00 65.03 H new ATOM 0 HZ2 LYS A 66 -1.792 -16.565 3.142 1.00 65.03 H new ATOM 0 HZ3 LYS A 66 -1.877 -17.089 4.755 1.00 65.03 H new ATOM 1118 N ALA A 67 -3.063 -9.280 4.586 1.00 75.55 N ATOM 1119 CA ALA A 67 -2.263 -8.161 5.090 1.00 63.31 C ATOM 1120 C ALA A 67 -3.130 -7.171 5.886 1.00 41.42 C ATOM 1121 O ALA A 67 -2.838 -6.860 7.042 1.00 11.13 O ATOM 1122 CB ALA A 67 -1.569 -7.452 3.930 1.00 42.23 C ATOM 0 H ALA A 67 -3.211 -9.269 3.577 1.00 75.55 H new ATOM 0 HA ALA A 67 -1.507 -8.558 5.767 1.00 63.31 H new ATOM 0 HB1 ALA A 67 -0.976 -6.621 4.313 1.00 42.23 H new ATOM 0 HB2 ALA A 67 -0.916 -8.155 3.412 1.00 42.23 H new ATOM 0 HB3 ALA A 67 -2.318 -7.073 3.235 1.00 42.23 H new ATOM 1128 N ILE A 68 -4.208 -6.699 5.260 1.00 13.44 N ATOM 1129 CA ILE A 68 -5.105 -5.709 5.875 1.00 3.34 C ATOM 1130 C ILE A 68 -5.746 -6.241 7.173 1.00 14.43 C ATOM 1131 O ILE A 68 -5.819 -5.537 8.183 1.00 4.25 O ATOM 1132 CB ILE A 68 -6.229 -5.289 4.890 1.00 50.32 C ATOM 1133 CG1 ILE A 68 -5.636 -4.915 3.517 1.00 70.20 C ATOM 1134 CG2 ILE A 68 -7.046 -4.128 5.459 1.00 14.44 C ATOM 1135 CD1 ILE A 68 -4.584 -3.827 3.570 1.00 40.41 C ATOM 0 H ILE A 68 -4.486 -6.986 4.321 1.00 13.44 H new ATOM 0 HA ILE A 68 -4.491 -4.842 6.120 1.00 3.34 H new ATOM 0 HB ILE A 68 -6.897 -6.139 4.755 1.00 50.32 H new ATOM 0 HG12 ILE A 68 -5.198 -5.807 3.068 1.00 70.20 H new ATOM 0 HG13 ILE A 68 -6.444 -4.592 2.861 1.00 70.20 H new ATOM 0 HG21 ILE A 68 -7.827 -3.852 4.751 1.00 14.44 H new ATOM 0 HG22 ILE A 68 -7.501 -4.431 6.402 1.00 14.44 H new ATOM 0 HG23 ILE A 68 -6.392 -3.273 5.630 1.00 14.44 H new ATOM 0 HD11 ILE A 68 -4.219 -3.624 2.563 1.00 40.41 H new ATOM 0 HD12 ILE A 68 -5.020 -2.919 3.987 1.00 40.41 H new ATOM 0 HD13 ILE A 68 -3.755 -4.153 4.198 1.00 40.41 H new ATOM 1147 N ARG A 69 -6.204 -7.491 7.134 1.00 45.23 N ATOM 1148 CA ARG A 69 -6.815 -8.144 8.297 1.00 24.32 C ATOM 1149 C ARG A 69 -5.812 -8.228 9.461 1.00 43.51 C ATOM 1150 O ARG A 69 -6.185 -8.130 10.630 1.00 12.11 O ATOM 1151 CB ARG A 69 -7.299 -9.557 7.918 1.00 74.13 C ATOM 1152 CG ARG A 69 -8.182 -10.232 8.971 1.00 12.05 C ATOM 1153 CD ARG A 69 -9.620 -9.709 8.945 1.00 53.31 C ATOM 1154 NE ARG A 69 -10.330 -10.101 7.721 1.00 43.23 N ATOM 1155 CZ ARG A 69 -11.597 -9.853 7.488 1.00 33.21 C ATOM 1156 NH1 ARG A 69 -12.324 -9.226 8.356 1.00 31.44 N ATOM 1157 NH2 ARG A 69 -12.142 -10.254 6.387 1.00 23.22 N ATOM 0 H ARG A 69 -6.164 -8.079 6.302 1.00 45.23 H new ATOM 0 HA ARG A 69 -7.669 -7.548 8.617 1.00 24.32 H new ATOM 0 HB2 ARG A 69 -7.854 -9.498 6.982 1.00 74.13 H new ATOM 0 HB3 ARG A 69 -6.429 -10.188 7.734 1.00 74.13 H new ATOM 0 HG2 ARG A 69 -8.186 -11.309 8.802 1.00 12.05 H new ATOM 0 HG3 ARG A 69 -7.755 -10.066 9.960 1.00 12.05 H new ATOM 0 HD2 ARG A 69 -10.159 -10.089 9.813 1.00 53.31 H new ATOM 0 HD3 ARG A 69 -9.611 -8.622 9.026 1.00 53.31 H new ATOM 0 HE ARG A 69 -9.803 -10.599 7.004 1.00 43.23 H new ATOM 0 HH11 ARG A 69 -11.913 -8.917 9.237 1.00 31.44 H new ATOM 0 HH12 ARG A 69 -13.308 -9.041 8.159 1.00 31.44 H new ATOM 0 HH21 ARG A 69 -11.587 -10.763 5.699 1.00 23.22 H new ATOM 0 HH22 ARG A 69 -13.127 -10.061 6.206 1.00 23.22 H new ATOM 1171 N PHE A 70 -4.536 -8.411 9.124 1.00 72.11 N ATOM 1172 CA PHE A 70 -3.465 -8.465 10.125 1.00 31.41 C ATOM 1173 C PHE A 70 -3.183 -7.071 10.713 1.00 73.13 C ATOM 1174 O PHE A 70 -3.094 -6.908 11.932 1.00 34.21 O ATOM 1175 CB PHE A 70 -2.188 -9.046 9.502 1.00 34.42 C ATOM 1176 CG PHE A 70 -1.041 -9.183 10.476 1.00 72.34 C ATOM 1177 CD1 PHE A 70 -1.036 -10.196 11.425 1.00 51.33 C ATOM 1178 CD2 PHE A 70 0.032 -8.299 10.444 1.00 1.12 C ATOM 1179 CE1 PHE A 70 0.010 -10.325 12.319 1.00 10.15 C ATOM 1180 CE2 PHE A 70 1.080 -8.427 11.337 1.00 65.34 C ATOM 1181 CZ PHE A 70 1.068 -9.441 12.275 1.00 32.35 C ATOM 0 H PHE A 70 -4.215 -8.525 8.162 1.00 72.11 H new ATOM 0 HA PHE A 70 -3.793 -9.114 10.937 1.00 31.41 H new ATOM 0 HB2 PHE A 70 -2.414 -10.026 9.081 1.00 34.42 H new ATOM 0 HB3 PHE A 70 -1.876 -8.408 8.675 1.00 34.42 H new ATOM 0 HD1 PHE A 70 -1.860 -10.893 11.465 1.00 51.33 H new ATOM 0 HD2 PHE A 70 0.047 -7.504 9.714 1.00 1.12 H new ATOM 0 HE1 PHE A 70 -0.001 -11.118 13.052 1.00 10.15 H new ATOM 0 HE2 PHE A 70 1.908 -7.734 11.301 1.00 65.34 H new ATOM 0 HZ PHE A 70 1.886 -9.542 12.973 1.00 32.35 H new ATOM 1191 N VAL A 71 -3.053 -6.070 9.838 1.00 53.32 N ATOM 1192 CA VAL A 71 -2.814 -4.687 10.275 1.00 60.15 C ATOM 1193 C VAL A 71 -3.912 -4.202 11.236 1.00 3.20 C ATOM 1194 O VAL A 71 -3.642 -3.458 12.184 1.00 44.44 O ATOM 1195 CB VAL A 71 -2.714 -3.712 9.068 1.00 43.42 C ATOM 1196 CG1 VAL A 71 -2.455 -2.282 9.542 1.00 31.21 C ATOM 1197 CG2 VAL A 71 -1.623 -4.167 8.098 1.00 73.22 C ATOM 0 H VAL A 71 -3.109 -6.188 8.826 1.00 53.32 H new ATOM 0 HA VAL A 71 -1.860 -4.689 10.802 1.00 60.15 H new ATOM 0 HB VAL A 71 -3.668 -3.725 8.541 1.00 43.42 H new ATOM 0 HG11 VAL A 71 -2.389 -1.619 8.679 1.00 31.21 H new ATOM 0 HG12 VAL A 71 -3.272 -1.959 10.187 1.00 31.21 H new ATOM 0 HG13 VAL A 71 -1.519 -2.247 10.099 1.00 31.21 H new ATOM 0 HG21 VAL A 71 -1.568 -3.472 7.260 1.00 73.22 H new ATOM 0 HG22 VAL A 71 -0.663 -4.189 8.614 1.00 73.22 H new ATOM 0 HG23 VAL A 71 -1.859 -5.165 7.727 1.00 73.22 H new ATOM 1207 N LYS A 72 -5.149 -4.641 11.006 1.00 43.23 N ATOM 1208 CA LYS A 72 -6.258 -4.296 11.900 1.00 40.31 C ATOM 1209 C LYS A 72 -6.031 -4.871 13.306 1.00 5.33 C ATOM 1210 O LYS A 72 -6.265 -4.195 14.310 1.00 74.24 O ATOM 1211 CB LYS A 72 -7.601 -4.797 11.350 1.00 40.32 C ATOM 1212 CG LYS A 72 -8.797 -4.229 12.109 1.00 5.11 C ATOM 1213 CD LYS A 72 -10.117 -4.883 11.715 1.00 11.55 C ATOM 1214 CE LYS A 72 -10.164 -6.355 12.109 1.00 60.11 C ATOM 1215 NZ LYS A 72 -11.551 -6.886 12.088 1.00 43.11 N ATOM 0 H LYS A 72 -5.409 -5.231 10.216 1.00 43.23 H new ATOM 0 HA LYS A 72 -6.293 -3.208 11.961 1.00 40.31 H new ATOM 0 HB2 LYS A 72 -7.682 -4.526 10.297 1.00 40.32 H new ATOM 0 HB3 LYS A 72 -7.627 -5.885 11.402 1.00 40.32 H new ATOM 0 HG2 LYS A 72 -8.637 -4.361 13.179 1.00 5.11 H new ATOM 0 HG3 LYS A 72 -8.860 -3.156 11.926 1.00 5.11 H new ATOM 0 HD2 LYS A 72 -10.941 -4.353 12.193 1.00 11.55 H new ATOM 0 HD3 LYS A 72 -10.260 -4.791 10.638 1.00 11.55 H new ATOM 0 HE2 LYS A 72 -9.542 -6.934 11.426 1.00 60.11 H new ATOM 0 HE3 LYS A 72 -9.742 -6.478 13.107 1.00 60.11 H new ATOM 0 HZ1 LYS A 72 -11.543 -7.889 12.361 1.00 43.11 H new ATOM 0 HZ2 LYS A 72 -12.138 -6.349 12.758 1.00 43.11 H new ATOM 0 HZ3 LYS A 72 -11.944 -6.791 11.130 1.00 43.11 H new ATOM 1229 N SER A 73 -5.571 -6.123 13.371 1.00 54.31 N ATOM 1230 CA SER A 73 -5.256 -6.769 14.656 1.00 72.05 C ATOM 1231 C SER A 73 -4.128 -6.034 15.390 1.00 72.05 C ATOM 1232 O SER A 73 -4.047 -6.066 16.620 1.00 24.00 O ATOM 1233 CB SER A 73 -4.868 -8.239 14.449 1.00 40.52 C ATOM 1234 OG SER A 73 -5.959 -8.991 13.933 1.00 32.11 O ATOM 0 H SER A 73 -5.407 -6.711 12.554 1.00 54.31 H new ATOM 0 HA SER A 73 -6.155 -6.723 15.270 1.00 72.05 H new ATOM 0 HB2 SER A 73 -4.023 -8.302 13.763 1.00 40.52 H new ATOM 0 HB3 SER A 73 -4.542 -8.669 15.396 1.00 40.52 H new ATOM 0 HG SER A 73 -5.684 -9.923 13.809 1.00 32.11 H new ATOM 1240 N LEU A 74 -3.247 -5.387 14.628 1.00 71.02 N ATOM 1241 CA LEU A 74 -2.224 -4.508 15.206 1.00 63.35 C ATOM 1242 C LEU A 74 -2.880 -3.276 15.852 1.00 21.23 C ATOM 1243 O LEU A 74 -2.544 -2.889 16.973 1.00 11.21 O ATOM 1244 CB LEU A 74 -1.234 -4.056 14.122 1.00 12.01 C ATOM 1245 CG LEU A 74 -0.502 -5.187 13.380 1.00 62.33 C ATOM 1246 CD1 LEU A 74 0.341 -4.624 12.240 1.00 30.34 C ATOM 1247 CD2 LEU A 74 0.366 -6.000 14.340 1.00 72.12 C ATOM 0 H LEU A 74 -3.219 -5.453 13.611 1.00 71.02 H new ATOM 0 HA LEU A 74 -1.685 -5.067 15.971 1.00 63.35 H new ATOM 0 HB2 LEU A 74 -1.773 -3.455 13.390 1.00 12.01 H new ATOM 0 HB3 LEU A 74 -0.490 -3.406 14.582 1.00 12.01 H new ATOM 0 HG LEU A 74 -1.253 -5.854 12.957 1.00 62.33 H new ATOM 0 HD11 LEU A 74 0.851 -5.440 11.727 1.00 30.34 H new ATOM 0 HD12 LEU A 74 -0.304 -4.099 11.535 1.00 30.34 H new ATOM 0 HD13 LEU A 74 1.079 -3.930 12.642 1.00 30.34 H new ATOM 0 HD21 LEU A 74 0.872 -6.793 13.790 1.00 72.12 H new ATOM 0 HD22 LEU A 74 1.108 -5.348 14.801 1.00 72.12 H new ATOM 0 HD23 LEU A 74 -0.262 -6.440 15.115 1.00 72.12 H new ATOM 1259 N GLY A 75 -3.820 -2.669 15.130 1.00 63.21 N ATOM 1260 CA GLY A 75 -4.539 -1.508 15.643 1.00 71.13 C ATOM 1261 C GLY A 75 -3.724 -0.221 15.584 1.00 30.04 C ATOM 1262 O GLY A 75 -3.534 0.450 16.600 1.00 33.41 O ATOM 0 H GLY A 75 -4.099 -2.961 14.193 1.00 63.21 H new ATOM 0 HA2 GLY A 75 -5.457 -1.375 15.070 1.00 71.13 H new ATOM 0 HA3 GLY A 75 -4.832 -1.698 16.676 1.00 71.13 H new ATOM 1266 N ALA A 76 -3.242 0.128 14.393 1.00 54.43 N ATOM 1267 CA ALA A 76 -2.447 1.346 14.199 1.00 4.03 C ATOM 1268 C ALA A 76 -2.893 2.104 12.943 1.00 61.53 C ATOM 1269 O ALA A 76 -3.143 1.499 11.903 1.00 13.24 O ATOM 1270 CB ALA A 76 -0.963 0.998 14.110 1.00 44.32 C ATOM 0 H ALA A 76 -3.387 -0.416 13.542 1.00 54.43 H new ATOM 0 HA ALA A 76 -2.608 1.996 15.059 1.00 4.03 H new ATOM 0 HB1 ALA A 76 -0.383 1.910 13.966 1.00 44.32 H new ATOM 0 HB2 ALA A 76 -0.648 0.510 15.032 1.00 44.32 H new ATOM 0 HB3 ALA A 76 -0.797 0.326 13.268 1.00 44.32 H new ATOM 1276 N GLN A 77 -2.990 3.429 13.045 1.00 74.23 N ATOM 1277 CA GLN A 77 -3.435 4.262 11.919 1.00 41.21 C ATOM 1278 C GLN A 77 -2.440 4.195 10.742 1.00 31.32 C ATOM 1279 O GLN A 77 -1.246 4.465 10.900 1.00 72.20 O ATOM 1280 CB GLN A 77 -3.657 5.718 12.389 1.00 71.02 C ATOM 1281 CG GLN A 77 -2.401 6.442 12.897 1.00 35.43 C ATOM 1282 CD GLN A 77 -1.660 7.219 11.813 1.00 63.21 C ATOM 1283 OE1 GLN A 77 -0.441 7.343 11.840 1.00 24.24 O ATOM 1284 NE2 GLN A 77 -2.391 7.762 10.860 1.00 24.52 N ATOM 0 H GLN A 77 -2.768 3.952 13.892 1.00 74.23 H new ATOM 0 HA GLN A 77 -4.385 3.870 11.556 1.00 41.21 H new ATOM 0 HB2 GLN A 77 -4.076 6.290 11.561 1.00 71.02 H new ATOM 0 HB3 GLN A 77 -4.402 5.716 13.185 1.00 71.02 H new ATOM 0 HG2 GLN A 77 -2.686 7.129 13.694 1.00 35.43 H new ATOM 0 HG3 GLN A 77 -1.723 5.710 13.335 1.00 35.43 H new ATOM 0 HE21 GLN A 77 -3.404 7.642 10.863 1.00 24.52 H new ATOM 0 HE22 GLN A 77 -1.944 8.302 10.119 1.00 24.52 H new ATOM 1293 N VAL A 78 -2.936 3.800 9.569 1.00 32.52 N ATOM 1294 CA VAL A 78 -2.105 3.697 8.362 1.00 24.54 C ATOM 1295 C VAL A 78 -2.864 4.176 7.114 1.00 33.11 C ATOM 1296 O VAL A 78 -4.089 4.059 7.033 1.00 12.45 O ATOM 1297 CB VAL A 78 -1.619 2.238 8.116 1.00 22.30 C ATOM 1298 CG1 VAL A 78 -0.732 1.748 9.261 1.00 43.10 C ATOM 1299 CG2 VAL A 78 -2.807 1.295 7.910 1.00 53.15 C ATOM 0 H VAL A 78 -3.913 3.544 9.426 1.00 32.52 H new ATOM 0 HA VAL A 78 -1.241 4.339 8.533 1.00 24.54 H new ATOM 0 HB VAL A 78 -1.020 2.238 7.205 1.00 22.30 H new ATOM 0 HG11 VAL A 78 -0.409 0.727 9.060 1.00 43.10 H new ATOM 0 HG12 VAL A 78 0.141 2.394 9.347 1.00 43.10 H new ATOM 0 HG13 VAL A 78 -1.295 1.773 10.194 1.00 43.10 H new ATOM 0 HG21 VAL A 78 -2.442 0.282 7.740 1.00 53.15 H new ATOM 0 HG22 VAL A 78 -3.440 1.309 8.797 1.00 53.15 H new ATOM 0 HG23 VAL A 78 -3.386 1.622 7.046 1.00 53.15 H new ATOM 1309 N LEU A 79 -2.129 4.730 6.154 1.00 14.20 N ATOM 1310 CA LEU A 79 -2.698 5.104 4.852 1.00 61.01 C ATOM 1311 C LEU A 79 -2.471 3.981 3.832 1.00 2.33 C ATOM 1312 O LEU A 79 -1.333 3.618 3.541 1.00 71.45 O ATOM 1313 CB LEU A 79 -2.074 6.416 4.335 1.00 21.02 C ATOM 1314 CG LEU A 79 -2.530 7.710 5.041 1.00 51.23 C ATOM 1315 CD1 LEU A 79 -4.044 7.886 4.934 1.00 44.54 C ATOM 1316 CD2 LEU A 79 -2.083 7.730 6.503 1.00 52.34 C ATOM 0 H LEU A 79 -1.134 4.933 6.249 1.00 14.20 H new ATOM 0 HA LEU A 79 -3.769 5.259 4.982 1.00 61.01 H new ATOM 0 HB2 LEU A 79 -0.990 6.339 4.426 1.00 21.02 H new ATOM 0 HB3 LEU A 79 -2.299 6.507 3.272 1.00 21.02 H new ATOM 0 HG LEU A 79 -2.054 8.549 4.534 1.00 51.23 H new ATOM 0 HD11 LEU A 79 -4.340 8.805 5.439 1.00 44.54 H new ATOM 0 HD12 LEU A 79 -4.331 7.941 3.884 1.00 44.54 H new ATOM 0 HD13 LEU A 79 -4.543 7.038 5.402 1.00 44.54 H new ATOM 0 HD21 LEU A 79 -2.419 8.654 6.974 1.00 52.34 H new ATOM 0 HD22 LEU A 79 -2.515 6.878 7.027 1.00 52.34 H new ATOM 0 HD23 LEU A 79 -0.996 7.673 6.552 1.00 52.34 H new ATOM 1328 N ILE A 80 -3.556 3.427 3.300 1.00 44.21 N ATOM 1329 CA ILE A 80 -3.470 2.310 2.355 1.00 74.20 C ATOM 1330 C ILE A 80 -3.745 2.765 0.911 1.00 42.41 C ATOM 1331 O ILE A 80 -4.887 3.032 0.537 1.00 22.24 O ATOM 1332 CB ILE A 80 -4.462 1.183 2.748 1.00 14.44 C ATOM 1333 CG1 ILE A 80 -4.186 0.718 4.191 1.00 42.32 C ATOM 1334 CG2 ILE A 80 -4.368 0.010 1.770 1.00 33.42 C ATOM 1335 CD1 ILE A 80 -5.181 -0.299 4.711 1.00 33.43 C ATOM 0 H ILE A 80 -4.508 3.731 3.505 1.00 44.21 H new ATOM 0 HA ILE A 80 -2.451 1.925 2.402 1.00 74.20 H new ATOM 0 HB ILE A 80 -5.477 1.578 2.697 1.00 14.44 H new ATOM 0 HG12 ILE A 80 -3.185 0.289 4.239 1.00 42.32 H new ATOM 0 HG13 ILE A 80 -4.192 1.587 4.849 1.00 42.32 H new ATOM 0 HG21 ILE A 80 -5.072 -0.768 2.066 1.00 33.42 H new ATOM 0 HG22 ILE A 80 -4.609 0.355 0.764 1.00 33.42 H new ATOM 0 HG23 ILE A 80 -3.356 -0.394 1.782 1.00 33.42 H new ATOM 0 HD11 ILE A 80 -4.918 -0.576 5.732 1.00 33.43 H new ATOM 0 HD12 ILE A 80 -6.182 0.132 4.698 1.00 33.43 H new ATOM 0 HD13 ILE A 80 -5.159 -1.186 4.078 1.00 33.43 H new ATOM 1347 N ILE A 81 -2.692 2.866 0.106 1.00 74.33 N ATOM 1348 CA ILE A 81 -2.829 3.250 -1.304 1.00 21.35 C ATOM 1349 C ILE A 81 -2.906 2.009 -2.205 1.00 4.41 C ATOM 1350 O ILE A 81 -2.002 1.178 -2.206 1.00 42.42 O ATOM 1351 CB ILE A 81 -1.649 4.143 -1.770 1.00 34.44 C ATOM 1352 CG1 ILE A 81 -1.535 5.392 -0.877 1.00 71.21 C ATOM 1353 CG2 ILE A 81 -1.823 4.541 -3.238 1.00 52.43 C ATOM 1354 CD1 ILE A 81 -0.403 6.323 -1.266 1.00 72.11 C ATOM 0 H ILE A 81 -1.732 2.688 0.401 1.00 74.33 H new ATOM 0 HA ILE A 81 -3.755 3.819 -1.389 1.00 21.35 H new ATOM 0 HB ILE A 81 -0.726 3.571 -1.679 1.00 34.44 H new ATOM 0 HG12 ILE A 81 -2.475 5.942 -0.917 1.00 71.21 H new ATOM 0 HG13 ILE A 81 -1.394 5.076 0.157 1.00 71.21 H new ATOM 0 HG21 ILE A 81 -0.986 5.167 -3.547 1.00 52.43 H new ATOM 0 HG22 ILE A 81 -1.853 3.644 -3.857 1.00 52.43 H new ATOM 0 HG23 ILE A 81 -2.754 5.095 -3.357 1.00 52.43 H new ATOM 0 HD11 ILE A 81 -0.388 7.179 -0.591 1.00 72.11 H new ATOM 0 HD12 ILE A 81 0.546 5.790 -1.199 1.00 72.11 H new ATOM 0 HD13 ILE A 81 -0.552 6.670 -2.288 1.00 72.11 H new ATOM 1366 N ILE A 82 -3.985 1.888 -2.974 1.00 31.54 N ATOM 1367 CA ILE A 82 -4.199 0.713 -3.831 1.00 61.14 C ATOM 1368 C ILE A 82 -4.072 1.068 -5.323 1.00 62.50 C ATOM 1369 O ILE A 82 -4.547 2.117 -5.762 1.00 35.32 O ATOM 1370 CB ILE A 82 -5.593 0.089 -3.574 1.00 70.32 C ATOM 1371 CG1 ILE A 82 -5.762 -0.254 -2.083 1.00 33.31 C ATOM 1372 CG2 ILE A 82 -5.796 -1.159 -4.439 1.00 14.52 C ATOM 1373 CD1 ILE A 82 -7.113 -0.843 -1.742 1.00 61.11 C ATOM 0 H ILE A 82 -4.727 2.586 -3.025 1.00 31.54 H new ATOM 0 HA ILE A 82 -3.424 -0.010 -3.577 1.00 61.14 H new ATOM 0 HB ILE A 82 -6.352 0.821 -3.849 1.00 70.32 H new ATOM 0 HG12 ILE A 82 -4.984 -0.960 -1.792 1.00 33.31 H new ATOM 0 HG13 ILE A 82 -5.610 0.649 -1.492 1.00 33.31 H new ATOM 0 HG21 ILE A 82 -6.781 -1.581 -4.243 1.00 14.52 H new ATOM 0 HG22 ILE A 82 -5.721 -0.888 -5.492 1.00 14.52 H new ATOM 0 HG23 ILE A 82 -5.031 -1.897 -4.199 1.00 14.52 H new ATOM 0 HD11 ILE A 82 -7.157 -1.059 -0.674 1.00 61.11 H new ATOM 0 HD12 ILE A 82 -7.896 -0.131 -2.001 1.00 61.11 H new ATOM 0 HD13 ILE A 82 -7.261 -1.765 -2.305 1.00 61.11 H new ATOM 1385 N TYR A 83 -3.432 0.189 -6.097 1.00 74.51 N ATOM 1386 CA TYR A 83 -3.270 0.399 -7.542 1.00 44.14 C ATOM 1387 C TYR A 83 -3.854 -0.761 -8.368 1.00 52.23 C ATOM 1388 O TYR A 83 -3.436 -1.916 -8.232 1.00 73.12 O ATOM 1389 CB TYR A 83 -1.786 0.588 -7.894 1.00 23.42 C ATOM 1390 CG TYR A 83 -1.514 0.635 -9.392 1.00 44.31 C ATOM 1391 CD1 TYR A 83 -1.864 1.748 -10.152 1.00 63.32 C ATOM 1392 CD2 TYR A 83 -0.918 -0.442 -10.045 1.00 74.42 C ATOM 1393 CE1 TYR A 83 -1.626 1.787 -11.514 1.00 23.40 C ATOM 1394 CE2 TYR A 83 -0.681 -0.409 -11.405 1.00 43.54 C ATOM 1395 CZ TYR A 83 -1.035 0.704 -12.135 1.00 14.31 C ATOM 1396 OH TYR A 83 -0.801 0.732 -13.494 1.00 64.50 O ATOM 0 H TYR A 83 -3.017 -0.676 -5.750 1.00 74.51 H new ATOM 0 HA TYR A 83 -3.825 1.302 -7.796 1.00 44.14 H new ATOM 0 HB2 TYR A 83 -1.429 1.512 -7.439 1.00 23.42 H new ATOM 0 HB3 TYR A 83 -1.211 -0.227 -7.454 1.00 23.42 H new ATOM 0 HD1 TYR A 83 -2.329 2.595 -9.670 1.00 63.32 H new ATOM 0 HD2 TYR A 83 -0.637 -1.317 -9.478 1.00 74.42 H new ATOM 0 HE1 TYR A 83 -1.901 2.659 -12.089 1.00 23.40 H new ATOM 0 HE2 TYR A 83 -0.219 -1.254 -11.895 1.00 43.54 H new ATOM 0 HH TYR A 83 -0.379 -0.108 -13.771 1.00 64.50 H new ATOM 1406 N ASP A 84 -4.809 -0.426 -9.235 1.00 41.53 N ATOM 1407 CA ASP A 84 -5.401 -1.375 -10.184 1.00 30.04 C ATOM 1408 C ASP A 84 -6.084 -0.601 -11.329 1.00 0.22 C ATOM 1409 O ASP A 84 -6.480 0.550 -11.148 1.00 11.24 O ATOM 1410 CB ASP A 84 -6.404 -2.297 -9.474 1.00 10.14 C ATOM 1411 CG ASP A 84 -6.941 -3.378 -10.394 1.00 22.13 C ATOM 1412 OD1 ASP A 84 -6.242 -4.393 -10.603 1.00 10.34 O ATOM 1413 OD2 ASP A 84 -8.048 -3.207 -10.936 1.00 13.04 O ATOM 0 H ASP A 84 -5.197 0.515 -9.301 1.00 41.53 H new ATOM 0 HA ASP A 84 -4.612 -2.001 -10.602 1.00 30.04 H new ATOM 0 HB2 ASP A 84 -5.922 -2.761 -8.614 1.00 10.14 H new ATOM 0 HB3 ASP A 84 -7.234 -1.702 -9.092 1.00 10.14 H new ATOM 1418 N GLN A 85 -6.221 -1.224 -12.501 1.00 63.43 N ATOM 1419 CA GLN A 85 -6.737 -0.521 -13.691 1.00 40.25 C ATOM 1420 C GLN A 85 -8.161 -0.961 -14.070 1.00 62.52 C ATOM 1421 O GLN A 85 -8.611 -0.743 -15.198 1.00 34.45 O ATOM 1422 CB GLN A 85 -5.781 -0.720 -14.874 1.00 72.22 C ATOM 1423 CG GLN A 85 -4.378 -0.161 -14.633 1.00 1.35 C ATOM 1424 CD GLN A 85 -4.348 1.354 -14.449 1.00 40.35 C ATOM 1425 OE1 GLN A 85 -5.303 1.969 -13.990 1.00 63.03 O ATOM 1426 NE2 GLN A 85 -3.243 1.970 -14.802 1.00 71.15 N ATOM 0 H GLN A 85 -5.986 -2.204 -12.658 1.00 63.43 H new ATOM 0 HA GLN A 85 -6.793 0.538 -13.440 1.00 40.25 H new ATOM 0 HB2 GLN A 85 -5.705 -1.785 -15.093 1.00 72.22 H new ATOM 0 HB3 GLN A 85 -6.206 -0.243 -15.757 1.00 72.22 H new ATOM 0 HG2 GLN A 85 -3.954 -0.635 -13.748 1.00 1.35 H new ATOM 0 HG3 GLN A 85 -3.739 -0.429 -15.475 1.00 1.35 H new ATOM 0 HE21 GLN A 85 -2.461 1.437 -15.182 1.00 71.15 H new ATOM 0 HE22 GLN A 85 -3.167 2.982 -14.696 1.00 71.15 H new ATOM 1435 N ASP A 86 -8.866 -1.572 -13.125 1.00 50.00 N ATOM 1436 CA ASP A 86 -10.280 -1.915 -13.300 1.00 44.35 C ATOM 1437 C ASP A 86 -11.132 -1.106 -12.304 1.00 71.43 C ATOM 1438 O ASP A 86 -11.009 -1.283 -11.092 1.00 5.12 O ATOM 1439 CB ASP A 86 -10.478 -3.423 -13.094 1.00 15.00 C ATOM 1440 CG ASP A 86 -11.893 -3.887 -13.392 1.00 3.20 C ATOM 1441 OD1 ASP A 86 -12.764 -3.796 -12.500 1.00 52.01 O ATOM 1442 OD2 ASP A 86 -12.139 -4.362 -14.518 1.00 61.42 O ATOM 0 H ASP A 86 -8.481 -1.844 -12.220 1.00 50.00 H new ATOM 0 HA ASP A 86 -10.598 -1.664 -14.312 1.00 44.35 H new ATOM 0 HB2 ASP A 86 -9.782 -3.965 -13.735 1.00 15.00 H new ATOM 0 HB3 ASP A 86 -10.228 -3.678 -12.064 1.00 15.00 H new ATOM 1447 N GLN A 87 -11.991 -0.223 -12.826 1.00 54.41 N ATOM 1448 CA GLN A 87 -12.757 0.725 -11.993 1.00 53.24 C ATOM 1449 C GLN A 87 -13.424 0.049 -10.782 1.00 32.15 C ATOM 1450 O GLN A 87 -13.143 0.395 -9.632 1.00 35.21 O ATOM 1451 CB GLN A 87 -13.825 1.435 -12.843 1.00 53.42 C ATOM 1452 CG GLN A 87 -13.253 2.326 -13.943 1.00 53.22 C ATOM 1453 CD GLN A 87 -14.337 2.949 -14.809 1.00 2.12 C ATOM 1454 OE1 GLN A 87 -14.734 2.392 -15.826 1.00 53.32 O ATOM 1455 NE2 GLN A 87 -14.823 4.108 -14.413 1.00 43.30 N ATOM 0 H GLN A 87 -12.177 -0.141 -13.826 1.00 54.41 H new ATOM 0 HA GLN A 87 -12.043 1.452 -11.606 1.00 53.24 H new ATOM 0 HB2 GLN A 87 -14.471 0.684 -13.297 1.00 53.42 H new ATOM 0 HB3 GLN A 87 -14.452 2.041 -12.188 1.00 53.42 H new ATOM 0 HG2 GLN A 87 -12.654 3.117 -13.491 1.00 53.22 H new ATOM 0 HG3 GLN A 87 -12.583 1.738 -14.571 1.00 53.22 H new ATOM 0 HE21 GLN A 87 -14.470 4.545 -13.561 1.00 43.30 H new ATOM 0 HE22 GLN A 87 -15.552 4.568 -14.958 1.00 43.30 H new ATOM 1464 N ASN A 88 -14.296 -0.920 -11.041 1.00 2.43 N ATOM 1465 CA ASN A 88 -15.034 -1.592 -9.968 1.00 62.12 C ATOM 1466 C ASN A 88 -14.117 -2.432 -9.061 1.00 60.23 C ATOM 1467 O ASN A 88 -14.366 -2.535 -7.864 1.00 33.30 O ATOM 1468 CB ASN A 88 -16.155 -2.456 -10.551 1.00 34.30 C ATOM 1469 CG ASN A 88 -17.287 -1.618 -11.119 1.00 32.31 C ATOM 1470 OD1 ASN A 88 -17.082 -0.511 -11.607 1.00 21.21 O ATOM 1471 ND2 ASN A 88 -18.495 -2.134 -11.052 1.00 41.20 N ATOM 0 H ASN A 88 -14.511 -1.259 -11.979 1.00 2.43 H new ATOM 0 HA ASN A 88 -15.472 -0.814 -9.343 1.00 62.12 H new ATOM 0 HB2 ASN A 88 -15.749 -3.095 -11.335 1.00 34.30 H new ATOM 0 HB3 ASN A 88 -16.546 -3.114 -9.775 1.00 34.30 H new ATOM 0 HD21 ASN A 88 -19.294 -1.611 -11.412 1.00 41.20 H new ATOM 0 HD22 ASN A 88 -18.633 -3.057 -10.640 1.00 41.20 H new ATOM 1478 N ARG A 89 -13.063 -3.024 -9.627 1.00 11.44 N ATOM 1479 CA ARG A 89 -12.102 -3.823 -8.838 1.00 73.00 C ATOM 1480 C ARG A 89 -11.376 -2.944 -7.806 1.00 10.33 C ATOM 1481 O ARG A 89 -11.412 -3.200 -6.600 1.00 71.42 O ATOM 1482 CB ARG A 89 -11.062 -4.474 -9.770 1.00 60.25 C ATOM 1483 CG ARG A 89 -10.832 -5.964 -9.528 1.00 15.53 C ATOM 1484 CD ARG A 89 -12.052 -6.786 -9.923 1.00 55.43 C ATOM 1485 NE ARG A 89 -12.522 -6.446 -11.267 1.00 20.45 N ATOM 1486 CZ ARG A 89 -12.676 -7.300 -12.240 1.00 43.33 C ATOM 1487 NH1 ARG A 89 -12.379 -8.552 -12.084 1.00 32.25 N ATOM 1488 NH2 ARG A 89 -13.109 -6.889 -13.385 1.00 1.53 N ATOM 0 H ARG A 89 -12.848 -2.970 -10.623 1.00 11.44 H new ATOM 0 HA ARG A 89 -12.660 -4.598 -8.313 1.00 73.00 H new ATOM 0 HB2 ARG A 89 -11.381 -4.333 -10.803 1.00 60.25 H new ATOM 0 HB3 ARG A 89 -10.113 -3.950 -9.655 1.00 60.25 H new ATOM 0 HG2 ARG A 89 -9.966 -6.298 -10.100 1.00 15.53 H new ATOM 0 HG3 ARG A 89 -10.603 -6.132 -8.476 1.00 15.53 H new ATOM 0 HD2 ARG A 89 -11.805 -7.847 -9.881 1.00 55.43 H new ATOM 0 HD3 ARG A 89 -12.853 -6.617 -9.204 1.00 55.43 H new ATOM 0 HE ARG A 89 -12.745 -5.469 -11.456 1.00 20.45 H new ATOM 0 HH11 ARG A 89 -12.018 -8.883 -11.189 1.00 32.25 H new ATOM 0 HH12 ARG A 89 -12.506 -9.206 -12.856 1.00 32.25 H new ATOM 0 HH21 ARG A 89 -13.328 -5.902 -13.523 1.00 1.53 H new ATOM 0 HH22 ARG A 89 -13.232 -7.551 -14.151 1.00 1.53 H new ATOM 1502 N LEU A 90 -10.721 -1.907 -8.316 1.00 30.34 N ATOM 1503 CA LEU A 90 -9.956 -0.961 -7.504 1.00 13.42 C ATOM 1504 C LEU A 90 -10.801 -0.369 -6.359 1.00 33.14 C ATOM 1505 O LEU A 90 -10.378 -0.354 -5.198 1.00 2.40 O ATOM 1506 CB LEU A 90 -9.432 0.156 -8.422 1.00 14.43 C ATOM 1507 CG LEU A 90 -8.526 1.200 -7.758 1.00 14.55 C ATOM 1508 CD1 LEU A 90 -7.284 0.545 -7.161 1.00 61.14 C ATOM 1509 CD2 LEU A 90 -8.138 2.284 -8.765 1.00 21.41 C ATOM 0 H LEU A 90 -10.704 -1.695 -9.314 1.00 30.34 H new ATOM 0 HA LEU A 90 -9.124 -1.489 -7.038 1.00 13.42 H new ATOM 0 HB2 LEU A 90 -8.882 -0.304 -9.244 1.00 14.43 H new ATOM 0 HB3 LEU A 90 -10.287 0.671 -8.859 1.00 14.43 H new ATOM 0 HG LEU A 90 -9.081 1.667 -6.944 1.00 14.55 H new ATOM 0 HD11 LEU A 90 -6.658 1.307 -6.696 1.00 61.14 H new ATOM 0 HD12 LEU A 90 -7.584 -0.186 -6.410 1.00 61.14 H new ATOM 0 HD13 LEU A 90 -6.722 0.045 -7.950 1.00 61.14 H new ATOM 0 HD21 LEU A 90 -7.495 3.018 -8.280 1.00 21.41 H new ATOM 0 HD22 LEU A 90 -7.605 1.830 -9.600 1.00 21.41 H new ATOM 0 HD23 LEU A 90 -9.038 2.777 -9.134 1.00 21.41 H new ATOM 1521 N GLU A 91 -12.000 0.105 -6.690 1.00 61.32 N ATOM 1522 CA GLU A 91 -12.907 0.684 -5.690 1.00 65.25 C ATOM 1523 C GLU A 91 -13.526 -0.398 -4.777 1.00 20.52 C ATOM 1524 O GLU A 91 -13.828 -0.132 -3.612 1.00 2.12 O ATOM 1525 CB GLU A 91 -14.015 1.486 -6.392 1.00 55.42 C ATOM 1526 CG GLU A 91 -13.511 2.692 -7.190 1.00 52.34 C ATOM 1527 CD GLU A 91 -13.038 3.850 -6.311 1.00 13.15 C ATOM 1528 OE1 GLU A 91 -11.895 3.808 -5.811 1.00 70.00 O ATOM 1529 OE2 GLU A 91 -13.813 4.814 -6.120 1.00 35.45 O ATOM 0 H GLU A 91 -12.370 0.102 -7.641 1.00 61.32 H new ATOM 0 HA GLU A 91 -12.322 1.349 -5.055 1.00 65.25 H new ATOM 0 HB2 GLU A 91 -14.558 0.822 -7.064 1.00 55.42 H new ATOM 0 HB3 GLU A 91 -14.727 1.833 -5.643 1.00 55.42 H new ATOM 0 HG2 GLU A 91 -12.690 2.375 -7.833 1.00 52.34 H new ATOM 0 HG3 GLU A 91 -14.309 3.045 -7.843 1.00 52.34 H new ATOM 1536 N GLU A 92 -13.697 -1.618 -5.306 1.00 23.24 N ATOM 1537 CA GLU A 92 -14.289 -2.739 -4.545 1.00 14.12 C ATOM 1538 C GLU A 92 -13.584 -2.948 -3.199 1.00 71.31 C ATOM 1539 O GLU A 92 -14.181 -2.782 -2.134 1.00 40.21 O ATOM 1540 CB GLU A 92 -14.207 -4.040 -5.368 1.00 33.31 C ATOM 1541 CG GLU A 92 -14.815 -5.267 -4.691 1.00 25.24 C ATOM 1542 CD GLU A 92 -16.331 -5.195 -4.584 1.00 70.41 C ATOM 1543 OE1 GLU A 92 -17.013 -5.453 -5.599 1.00 51.52 O ATOM 1544 OE2 GLU A 92 -16.845 -4.888 -3.490 1.00 44.50 O ATOM 0 H GLU A 92 -13.434 -1.859 -6.262 1.00 23.24 H new ATOM 0 HA GLU A 92 -15.331 -2.486 -4.350 1.00 14.12 H new ATOM 0 HB2 GLU A 92 -14.711 -3.882 -6.322 1.00 33.31 H new ATOM 0 HB3 GLU A 92 -13.160 -4.247 -5.591 1.00 33.31 H new ATOM 0 HG2 GLU A 92 -14.538 -6.160 -5.252 1.00 25.24 H new ATOM 0 HG3 GLU A 92 -14.390 -5.373 -3.693 1.00 25.24 H new ATOM 1551 N PHE A 93 -12.300 -3.296 -3.258 1.00 45.02 N ATOM 1552 CA PHE A 93 -11.513 -3.553 -2.050 1.00 61.11 C ATOM 1553 C PHE A 93 -11.357 -2.269 -1.216 1.00 54.51 C ATOM 1554 O PHE A 93 -11.274 -2.318 0.015 1.00 32.50 O ATOM 1555 CB PHE A 93 -10.136 -4.123 -2.430 1.00 22.44 C ATOM 1556 CG PHE A 93 -9.372 -4.718 -1.269 1.00 15.04 C ATOM 1557 CD1 PHE A 93 -9.773 -5.921 -0.703 1.00 12.41 C ATOM 1558 CD2 PHE A 93 -8.251 -4.083 -0.749 1.00 42.22 C ATOM 1559 CE1 PHE A 93 -9.076 -6.476 0.354 1.00 41.00 C ATOM 1560 CE2 PHE A 93 -7.551 -4.634 0.309 1.00 35.51 C ATOM 1561 CZ PHE A 93 -7.965 -5.831 0.861 1.00 23.04 C ATOM 0 H PHE A 93 -11.781 -3.407 -4.129 1.00 45.02 H new ATOM 0 HA PHE A 93 -12.041 -4.287 -1.441 1.00 61.11 H new ATOM 0 HB2 PHE A 93 -10.270 -4.889 -3.194 1.00 22.44 H new ATOM 0 HB3 PHE A 93 -9.537 -3.329 -2.877 1.00 22.44 H new ATOM 0 HD1 PHE A 93 -10.642 -6.430 -1.094 1.00 12.41 H new ATOM 0 HD2 PHE A 93 -7.922 -3.147 -1.176 1.00 42.22 H new ATOM 0 HE1 PHE A 93 -9.400 -7.413 0.783 1.00 41.00 H new ATOM 0 HE2 PHE A 93 -6.682 -4.129 0.703 1.00 35.51 H new ATOM 0 HZ PHE A 93 -7.420 -6.262 1.688 1.00 23.04 H new ATOM 1571 N SER A 94 -11.336 -1.121 -1.897 1.00 3.14 N ATOM 1572 CA SER A 94 -11.217 0.185 -1.230 1.00 24.00 C ATOM 1573 C SER A 94 -12.368 0.432 -0.241 1.00 1.41 C ATOM 1574 O SER A 94 -12.136 0.728 0.933 1.00 55.23 O ATOM 1575 CB SER A 94 -11.175 1.317 -2.265 1.00 73.11 C ATOM 1576 OG SER A 94 -11.183 2.589 -1.634 1.00 33.52 O ATOM 0 H SER A 94 -11.400 -1.066 -2.913 1.00 3.14 H new ATOM 0 HA SER A 94 -10.284 0.173 -0.666 1.00 24.00 H new ATOM 0 HB2 SER A 94 -10.280 1.218 -2.880 1.00 73.11 H new ATOM 0 HB3 SER A 94 -12.032 1.234 -2.934 1.00 73.11 H new ATOM 0 HG SER A 94 -10.697 3.233 -2.190 1.00 33.52 H new ATOM 1582 N ARG A 95 -13.614 0.305 -0.713 1.00 15.15 N ATOM 1583 CA ARG A 95 -14.786 0.470 0.167 1.00 70.51 C ATOM 1584 C ARG A 95 -14.692 -0.449 1.394 1.00 4.42 C ATOM 1585 O ARG A 95 -15.028 -0.050 2.513 1.00 53.25 O ATOM 1586 CB ARG A 95 -16.100 0.197 -0.592 1.00 2.50 C ATOM 1587 CG ARG A 95 -16.714 1.423 -1.282 1.00 74.42 C ATOM 1588 CD ARG A 95 -15.951 1.868 -2.528 1.00 33.41 C ATOM 1589 NE ARG A 95 -14.684 2.542 -2.224 1.00 31.01 N ATOM 1590 CZ ARG A 95 -14.221 3.555 -2.910 1.00 62.32 C ATOM 1591 NH1 ARG A 95 -14.940 4.103 -3.834 1.00 15.33 N ATOM 1592 NH2 ARG A 95 -13.050 4.041 -2.651 1.00 23.45 N ATOM 0 H ARG A 95 -13.839 0.092 -1.685 1.00 15.15 H new ATOM 0 HA ARG A 95 -14.790 1.506 0.506 1.00 70.51 H new ATOM 0 HB2 ARG A 95 -15.916 -0.571 -1.344 1.00 2.50 H new ATOM 0 HB3 ARG A 95 -16.829 -0.211 0.108 1.00 2.50 H new ATOM 0 HG2 ARG A 95 -17.744 1.197 -1.558 1.00 74.42 H new ATOM 0 HG3 ARG A 95 -16.749 2.250 -0.572 1.00 74.42 H new ATOM 0 HD2 ARG A 95 -15.750 0.998 -3.153 1.00 33.41 H new ATOM 0 HD3 ARG A 95 -16.581 2.540 -3.111 1.00 33.41 H new ATOM 0 HE ARG A 95 -14.134 2.202 -1.435 1.00 31.01 H new ATOM 0 HH11 ARG A 95 -15.875 3.746 -4.032 1.00 15.33 H new ATOM 0 HH12 ARG A 95 -14.573 4.893 -4.365 1.00 15.33 H new ATOM 0 HH21 ARG A 95 -12.482 3.634 -1.908 1.00 23.45 H new ATOM 0 HH22 ARG A 95 -12.695 4.831 -3.190 1.00 23.45 H new ATOM 1606 N GLU A 96 -14.221 -1.675 1.177 1.00 43.01 N ATOM 1607 CA GLU A 96 -14.041 -2.631 2.268 1.00 64.01 C ATOM 1608 C GLU A 96 -13.049 -2.108 3.312 1.00 72.11 C ATOM 1609 O GLU A 96 -13.338 -2.121 4.504 1.00 23.51 O ATOM 1610 CB GLU A 96 -13.558 -3.980 1.727 1.00 11.04 C ATOM 1611 CG GLU A 96 -14.465 -4.564 0.650 1.00 62.22 C ATOM 1612 CD GLU A 96 -14.073 -5.974 0.248 1.00 64.31 C ATOM 1613 OE1 GLU A 96 -12.861 -6.264 0.190 1.00 52.43 O ATOM 1614 OE2 GLU A 96 -14.974 -6.805 0.004 1.00 21.14 O ATOM 0 H GLU A 96 -13.957 -2.030 0.258 1.00 43.01 H new ATOM 0 HA GLU A 96 -15.009 -2.763 2.750 1.00 64.01 H new ATOM 0 HB2 GLU A 96 -12.554 -3.861 1.320 1.00 11.04 H new ATOM 0 HB3 GLU A 96 -13.485 -4.688 2.552 1.00 11.04 H new ATOM 0 HG2 GLU A 96 -15.494 -4.567 1.011 1.00 62.22 H new ATOM 0 HG3 GLU A 96 -14.438 -3.920 -0.229 1.00 62.22 H new ATOM 1621 N VAL A 97 -11.885 -1.634 2.857 1.00 51.14 N ATOM 1622 CA VAL A 97 -10.848 -1.114 3.761 1.00 32.10 C ATOM 1623 C VAL A 97 -11.422 -0.095 4.766 1.00 3.44 C ATOM 1624 O VAL A 97 -11.163 -0.180 5.970 1.00 42.25 O ATOM 1625 CB VAL A 97 -9.683 -0.459 2.972 1.00 51.32 C ATOM 1626 CG1 VAL A 97 -8.652 0.146 3.922 1.00 55.40 C ATOM 1627 CG2 VAL A 97 -9.021 -1.474 2.041 1.00 61.35 C ATOM 0 H VAL A 97 -11.635 -1.599 1.869 1.00 51.14 H new ATOM 0 HA VAL A 97 -10.464 -1.971 4.315 1.00 32.10 H new ATOM 0 HB VAL A 97 -10.100 0.345 2.365 1.00 51.32 H new ATOM 0 HG11 VAL A 97 -7.846 0.599 3.344 1.00 55.40 H new ATOM 0 HG12 VAL A 97 -9.129 0.908 4.539 1.00 55.40 H new ATOM 0 HG13 VAL A 97 -8.244 -0.636 4.562 1.00 55.40 H new ATOM 0 HG21 VAL A 97 -8.207 -0.993 1.498 1.00 61.35 H new ATOM 0 HG22 VAL A 97 -8.625 -2.303 2.628 1.00 61.35 H new ATOM 0 HG23 VAL A 97 -9.757 -1.851 1.331 1.00 61.35 H new ATOM 1637 N ARG A 98 -12.217 0.854 4.272 1.00 71.12 N ATOM 1638 CA ARG A 98 -12.861 1.849 5.144 1.00 51.52 C ATOM 1639 C ARG A 98 -13.891 1.208 6.088 1.00 1.10 C ATOM 1640 O ARG A 98 -14.144 1.718 7.180 1.00 64.12 O ATOM 1641 CB ARG A 98 -13.516 2.963 4.315 1.00 40.41 C ATOM 1642 CG ARG A 98 -12.519 3.984 3.778 1.00 41.31 C ATOM 1643 CD ARG A 98 -13.214 5.201 3.172 1.00 20.12 C ATOM 1644 NE ARG A 98 -12.285 6.312 2.963 1.00 11.42 N ATOM 1645 CZ ARG A 98 -12.645 7.542 2.731 1.00 43.14 C ATOM 1646 NH1 ARG A 98 -13.897 7.864 2.655 1.00 10.35 N ATOM 1647 NH2 ARG A 98 -11.741 8.457 2.606 1.00 53.41 N ATOM 0 H ARG A 98 -12.432 0.959 3.281 1.00 71.12 H new ATOM 0 HA ARG A 98 -12.076 2.287 5.761 1.00 51.52 H new ATOM 0 HB2 ARG A 98 -14.053 2.516 3.478 1.00 40.41 H new ATOM 0 HB3 ARG A 98 -14.255 3.477 4.930 1.00 40.41 H new ATOM 0 HG2 ARG A 98 -11.861 4.307 4.585 1.00 41.31 H new ATOM 0 HG3 ARG A 98 -11.890 3.513 3.023 1.00 41.31 H new ATOM 0 HD2 ARG A 98 -13.668 4.924 2.221 1.00 20.12 H new ATOM 0 HD3 ARG A 98 -14.022 5.522 3.829 1.00 20.12 H new ATOM 0 HE ARG A 98 -11.286 6.109 3.002 1.00 11.42 H new ATOM 0 HH11 ARG A 98 -14.615 7.150 2.777 1.00 10.35 H new ATOM 0 HH12 ARG A 98 -14.165 8.831 2.473 1.00 10.35 H new ATOM 0 HH21 ARG A 98 -10.754 8.213 2.689 1.00 53.41 H new ATOM 0 HH22 ARG A 98 -12.015 9.423 2.424 1.00 53.41 H new ATOM 1661 N ARG A 99 -14.485 0.096 5.667 1.00 14.33 N ATOM 1662 CA ARG A 99 -15.415 -0.651 6.521 1.00 73.25 C ATOM 1663 C ARG A 99 -14.661 -1.522 7.544 1.00 71.04 C ATOM 1664 O ARG A 99 -15.199 -1.866 8.596 1.00 3.53 O ATOM 1665 CB ARG A 99 -16.346 -1.521 5.666 1.00 14.21 C ATOM 1666 CG ARG A 99 -17.283 -0.720 4.766 1.00 25.30 C ATOM 1667 CD ARG A 99 -18.213 -1.633 3.977 1.00 2.44 C ATOM 1668 NE ARG A 99 -19.188 -0.888 3.183 1.00 50.55 N ATOM 1669 CZ ARG A 99 -20.474 -0.910 3.399 1.00 34.23 C ATOM 1670 NH1 ARG A 99 -20.961 -1.560 4.406 1.00 2.53 N ATOM 1671 NH2 ARG A 99 -21.269 -0.258 2.622 1.00 14.45 N ATOM 0 H ARG A 99 -14.342 -0.311 4.743 1.00 14.33 H new ATOM 0 HA ARG A 99 -16.015 0.073 7.073 1.00 73.25 H new ATOM 0 HB2 ARG A 99 -15.742 -2.184 5.047 1.00 14.21 H new ATOM 0 HB3 ARG A 99 -16.942 -2.154 6.323 1.00 14.21 H new ATOM 0 HG2 ARG A 99 -17.874 -0.033 5.373 1.00 25.30 H new ATOM 0 HG3 ARG A 99 -16.696 -0.113 4.077 1.00 25.30 H new ATOM 0 HD2 ARG A 99 -17.621 -2.267 3.317 1.00 2.44 H new ATOM 0 HD3 ARG A 99 -18.739 -2.293 4.666 1.00 2.44 H new ATOM 0 HE ARG A 99 -18.842 -0.316 2.413 1.00 50.55 H new ATOM 0 HH11 ARG A 99 -20.338 -2.061 5.039 1.00 2.53 H new ATOM 0 HH12 ARG A 99 -21.968 -1.571 4.567 1.00 2.53 H new ATOM 0 HH21 ARG A 99 -20.892 0.275 1.838 1.00 14.45 H new ATOM 0 HH22 ARG A 99 -22.275 -0.275 2.791 1.00 14.45 H new ATOM 1685 N ARG A 100 -13.413 -1.873 7.226 1.00 33.42 N ATOM 1686 CA ARG A 100 -12.561 -2.639 8.147 1.00 1.02 C ATOM 1687 C ARG A 100 -11.924 -1.706 9.193 1.00 65.14 C ATOM 1688 O ARG A 100 -11.368 -2.158 10.196 1.00 0.54 O ATOM 1689 CB ARG A 100 -11.472 -3.391 7.360 1.00 13.10 C ATOM 1690 CG ARG A 100 -12.016 -4.211 6.187 1.00 2.12 C ATOM 1691 CD ARG A 100 -10.911 -4.941 5.428 1.00 1.03 C ATOM 1692 NE ARG A 100 -11.359 -5.448 4.122 1.00 53.21 N ATOM 1693 CZ ARG A 100 -11.627 -6.707 3.866 1.00 74.02 C ATOM 1694 NH1 ARG A 100 -11.638 -7.584 4.814 1.00 23.12 N ATOM 1695 NH2 ARG A 100 -11.920 -7.087 2.661 1.00 11.53 N ATOM 0 H ARG A 100 -12.967 -1.640 6.339 1.00 33.42 H new ATOM 0 HA ARG A 100 -13.179 -3.368 8.670 1.00 1.02 H new ATOM 0 HB2 ARG A 100 -10.746 -2.671 6.983 1.00 13.10 H new ATOM 0 HB3 ARG A 100 -10.938 -4.055 8.040 1.00 13.10 H new ATOM 0 HG2 ARG A 100 -12.739 -4.937 6.559 1.00 2.12 H new ATOM 0 HG3 ARG A 100 -12.549 -3.552 5.502 1.00 2.12 H new ATOM 0 HD2 ARG A 100 -10.069 -4.265 5.281 1.00 1.03 H new ATOM 0 HD3 ARG A 100 -10.550 -5.773 6.032 1.00 1.03 H new ATOM 0 HE ARG A 100 -11.469 -4.775 3.363 1.00 53.21 H new ATOM 0 HH11 ARG A 100 -11.437 -7.301 5.773 1.00 23.12 H new ATOM 0 HH12 ARG A 100 -11.848 -8.560 4.604 1.00 23.12 H new ATOM 0 HH21 ARG A 100 -11.944 -6.405 1.903 1.00 11.53 H new ATOM 0 HH22 ARG A 100 -12.127 -8.068 2.472 1.00 11.53 H new ATOM 1709 N GLY A 101 -12.005 -0.398 8.941 1.00 72.44 N ATOM 1710 CA GLY A 101 -11.533 0.596 9.901 1.00 70.13 C ATOM 1711 C GLY A 101 -10.212 1.261 9.516 1.00 60.41 C ATOM 1712 O GLY A 101 -9.441 1.658 10.391 1.00 42.23 O ATOM 0 H GLY A 101 -12.392 -0.006 8.083 1.00 72.44 H new ATOM 0 HA2 GLY A 101 -12.296 1.367 10.014 1.00 70.13 H new ATOM 0 HA3 GLY A 101 -11.416 0.118 10.874 1.00 70.13 H new ATOM 1716 N PHE A 102 -9.945 1.396 8.216 1.00 52.24 N ATOM 1717 CA PHE A 102 -8.709 2.052 7.748 1.00 43.21 C ATOM 1718 C PHE A 102 -8.959 3.087 6.648 1.00 50.12 C ATOM 1719 O PHE A 102 -10.042 3.158 6.064 1.00 13.43 O ATOM 1720 CB PHE A 102 -7.697 1.016 7.246 1.00 45.21 C ATOM 1721 CG PHE A 102 -7.018 0.262 8.352 1.00 74.42 C ATOM 1722 CD1 PHE A 102 -6.254 0.942 9.290 1.00 34.34 C ATOM 1723 CD2 PHE A 102 -7.136 -1.116 8.458 1.00 23.04 C ATOM 1724 CE1 PHE A 102 -5.624 0.261 10.313 1.00 4.12 C ATOM 1725 CE2 PHE A 102 -6.506 -1.799 9.478 1.00 53.24 C ATOM 1726 CZ PHE A 102 -5.750 -1.109 10.406 1.00 63.34 C ATOM 0 H PHE A 102 -10.557 1.066 7.470 1.00 52.24 H new ATOM 0 HA PHE A 102 -8.305 2.579 8.612 1.00 43.21 H new ATOM 0 HB2 PHE A 102 -8.207 0.308 6.593 1.00 45.21 H new ATOM 0 HB3 PHE A 102 -6.942 1.519 6.642 1.00 45.21 H new ATOM 0 HD1 PHE A 102 -6.151 2.015 9.219 1.00 34.34 H new ATOM 0 HD2 PHE A 102 -7.727 -1.659 7.735 1.00 23.04 H new ATOM 0 HE1 PHE A 102 -5.034 0.800 11.039 1.00 4.12 H new ATOM 0 HE2 PHE A 102 -6.604 -2.872 9.551 1.00 53.24 H new ATOM 0 HZ PHE A 102 -5.257 -1.643 11.205 1.00 63.34 H new ATOM 1736 N GLU A 103 -7.941 3.900 6.383 1.00 13.53 N ATOM 1737 CA GLU A 103 -7.990 4.881 5.300 1.00 52.43 C ATOM 1738 C GLU A 103 -7.375 4.307 4.020 1.00 61.30 C ATOM 1739 O GLU A 103 -6.334 3.651 4.057 1.00 45.12 O ATOM 1740 CB GLU A 103 -7.268 6.177 5.709 1.00 23.21 C ATOM 1741 CG GLU A 103 -8.165 7.412 5.686 1.00 3.21 C ATOM 1742 CD GLU A 103 -8.711 7.726 4.293 1.00 21.22 C ATOM 1743 OE1 GLU A 103 -9.684 7.061 3.864 1.00 64.01 O ATOM 1744 OE2 GLU A 103 -8.174 8.637 3.627 1.00 74.32 O ATOM 0 H GLU A 103 -7.066 3.900 6.907 1.00 13.53 H new ATOM 0 HA GLU A 103 -9.036 5.116 5.102 1.00 52.43 H new ATOM 0 HB2 GLU A 103 -6.860 6.054 6.712 1.00 23.21 H new ATOM 0 HB3 GLU A 103 -6.424 6.339 5.039 1.00 23.21 H new ATOM 0 HG2 GLU A 103 -8.999 7.262 6.372 1.00 3.21 H new ATOM 0 HG3 GLU A 103 -7.602 8.271 6.052 1.00 3.21 H new ATOM 1751 N VAL A 104 -8.012 4.577 2.887 1.00 71.23 N ATOM 1752 CA VAL A 104 -7.591 3.996 1.611 1.00 65.53 C ATOM 1753 C VAL A 104 -7.681 5.008 0.459 1.00 54.32 C ATOM 1754 O VAL A 104 -8.665 5.740 0.327 1.00 55.24 O ATOM 1755 CB VAL A 104 -8.436 2.742 1.271 1.00 22.42 C ATOM 1756 CG1 VAL A 104 -9.928 3.070 1.295 1.00 73.12 C ATOM 1757 CG2 VAL A 104 -8.026 2.153 -0.079 1.00 20.01 C ATOM 0 H VAL A 104 -8.822 5.194 2.822 1.00 71.23 H new ATOM 0 HA VAL A 104 -6.546 3.707 1.726 1.00 65.53 H new ATOM 0 HB VAL A 104 -8.244 1.989 2.035 1.00 22.42 H new ATOM 0 HG11 VAL A 104 -10.501 2.175 1.053 1.00 73.12 H new ATOM 0 HG12 VAL A 104 -10.207 3.423 2.288 1.00 73.12 H new ATOM 0 HG13 VAL A 104 -10.142 3.847 0.561 1.00 73.12 H new ATOM 0 HG21 VAL A 104 -8.635 1.274 -0.293 1.00 20.01 H new ATOM 0 HG22 VAL A 104 -8.176 2.897 -0.861 1.00 20.01 H new ATOM 0 HG23 VAL A 104 -6.975 1.867 -0.047 1.00 20.01 H new ATOM 1767 N ARG A 105 -6.642 5.042 -0.372 1.00 71.02 N ATOM 1768 CA ARG A 105 -6.595 5.935 -1.534 1.00 44.31 C ATOM 1769 C ARG A 105 -6.224 5.157 -2.803 1.00 33.01 C ATOM 1770 O ARG A 105 -5.183 4.506 -2.866 1.00 4.22 O ATOM 1771 CB ARG A 105 -5.596 7.076 -1.282 1.00 43.24 C ATOM 1772 CG ARG A 105 -6.034 8.015 -0.161 1.00 43.24 C ATOM 1773 CD ARG A 105 -7.384 8.663 -0.463 1.00 5.52 C ATOM 1774 NE ARG A 105 -7.982 9.275 0.719 1.00 54.12 N ATOM 1775 CZ ARG A 105 -9.161 9.825 0.740 1.00 74.32 C ATOM 1776 NH1 ARG A 105 -9.907 9.844 -0.319 1.00 42.33 N ATOM 1777 NH2 ARG A 105 -9.605 10.337 1.840 1.00 14.33 N ATOM 0 H ARG A 105 -5.813 4.457 -0.263 1.00 71.02 H new ATOM 0 HA ARG A 105 -7.585 6.366 -1.683 1.00 44.31 H new ATOM 0 HB2 ARG A 105 -4.623 6.652 -1.034 1.00 43.24 H new ATOM 0 HB3 ARG A 105 -5.469 7.650 -2.200 1.00 43.24 H new ATOM 0 HG2 ARG A 105 -6.098 7.460 0.775 1.00 43.24 H new ATOM 0 HG3 ARG A 105 -5.281 8.791 -0.021 1.00 43.24 H new ATOM 0 HD2 ARG A 105 -7.256 9.421 -1.236 1.00 5.52 H new ATOM 0 HD3 ARG A 105 -8.064 7.911 -0.863 1.00 5.52 H new ATOM 0 HE ARG A 105 -7.441 9.271 1.584 1.00 54.12 H new ATOM 0 HH11 ARG A 105 -9.572 9.424 -1.186 1.00 42.33 H new ATOM 0 HH12 ARG A 105 -10.829 10.279 -0.286 1.00 42.33 H new ATOM 0 HH21 ARG A 105 -9.032 10.308 2.684 1.00 14.33 H new ATOM 0 HH22 ARG A 105 -10.528 10.770 1.865 1.00 14.33 H new ATOM 1791 N THR A 106 -7.086 5.224 -3.810 1.00 71.30 N ATOM 1792 CA THR A 106 -6.898 4.456 -5.044 1.00 10.52 C ATOM 1793 C THR A 106 -6.233 5.293 -6.144 1.00 53.33 C ATOM 1794 O THR A 106 -6.603 6.446 -6.376 1.00 23.35 O ATOM 1795 CB THR A 106 -8.248 3.910 -5.566 1.00 20.02 C ATOM 1796 OG1 THR A 106 -9.162 4.986 -5.826 1.00 55.33 O ATOM 1797 CG2 THR A 106 -8.870 2.947 -4.558 1.00 51.20 C ATOM 0 H THR A 106 -7.926 5.803 -3.800 1.00 71.30 H new ATOM 0 HA THR A 106 -6.239 3.624 -4.797 1.00 10.52 H new ATOM 0 HB THR A 106 -8.053 3.374 -6.495 1.00 20.02 H new ATOM 0 HG1 THR A 106 -10.081 4.645 -5.816 1.00 55.33 H new ATOM 0 HG21 THR A 106 -9.818 2.576 -4.947 1.00 51.20 H new ATOM 0 HG22 THR A 106 -8.194 2.109 -4.390 1.00 51.20 H new ATOM 0 HG23 THR A 106 -9.043 3.468 -3.616 1.00 51.20 H new ATOM 1805 N VAL A 107 -5.241 4.710 -6.818 1.00 41.51 N ATOM 1806 CA VAL A 107 -4.513 5.400 -7.893 1.00 25.23 C ATOM 1807 C VAL A 107 -4.567 4.612 -9.212 1.00 3.25 C ATOM 1808 O VAL A 107 -4.589 3.378 -9.217 1.00 13.11 O ATOM 1809 CB VAL A 107 -3.034 5.660 -7.500 1.00 23.05 C ATOM 1810 CG1 VAL A 107 -2.955 6.589 -6.289 1.00 3.24 C ATOM 1811 CG2 VAL A 107 -2.302 4.345 -7.225 1.00 44.21 C ATOM 0 H VAL A 107 -4.920 3.758 -6.640 1.00 41.51 H new ATOM 0 HA VAL A 107 -5.010 6.358 -8.042 1.00 25.23 H new ATOM 0 HB VAL A 107 -2.540 6.149 -8.340 1.00 23.05 H new ATOM 0 HG11 VAL A 107 -1.910 6.759 -6.029 1.00 3.24 H new ATOM 0 HG12 VAL A 107 -3.429 7.541 -6.529 1.00 3.24 H new ATOM 0 HG13 VAL A 107 -3.469 6.130 -5.444 1.00 3.24 H new ATOM 0 HG21 VAL A 107 -1.268 4.555 -6.952 1.00 44.21 H new ATOM 0 HG22 VAL A 107 -2.794 3.819 -6.407 1.00 44.21 H new ATOM 0 HG23 VAL A 107 -2.322 3.723 -8.120 1.00 44.21 H new ATOM 1821 N THR A 108 -4.588 5.338 -10.333 1.00 43.12 N ATOM 1822 CA THR A 108 -4.710 4.715 -11.665 1.00 74.22 C ATOM 1823 C THR A 108 -3.494 4.994 -12.570 1.00 10.53 C ATOM 1824 O THR A 108 -3.500 4.639 -13.750 1.00 50.35 O ATOM 1825 CB THR A 108 -5.991 5.197 -12.391 1.00 33.55 C ATOM 1826 OG1 THR A 108 -6.051 6.633 -12.391 1.00 73.23 O ATOM 1827 CG2 THR A 108 -7.246 4.629 -11.731 1.00 73.03 C ATOM 0 H THR A 108 -4.523 6.356 -10.351 1.00 43.12 H new ATOM 0 HA THR A 108 -4.763 3.641 -11.485 1.00 74.22 H new ATOM 0 HB THR A 108 -5.949 4.836 -13.419 1.00 33.55 H new ATOM 0 HG1 THR A 108 -6.863 6.926 -12.854 1.00 73.23 H new ATOM 0 HG21 THR A 108 -8.129 4.984 -12.262 1.00 73.03 H new ATOM 0 HG22 THR A 108 -7.215 3.540 -11.767 1.00 73.03 H new ATOM 0 HG23 THR A 108 -7.291 4.957 -10.692 1.00 73.03 H new ATOM 1835 N SER A 109 -2.453 5.619 -12.020 1.00 61.25 N ATOM 1836 CA SER A 109 -1.221 5.896 -12.786 1.00 42.31 C ATOM 1837 C SER A 109 -0.101 6.393 -11.862 1.00 22.52 C ATOM 1838 O SER A 109 -0.371 6.889 -10.767 1.00 24.42 O ATOM 1839 CB SER A 109 -1.475 6.950 -13.879 1.00 41.12 C ATOM 1840 OG SER A 109 -1.641 8.247 -13.325 1.00 32.11 O ATOM 0 H SER A 109 -2.430 5.944 -11.054 1.00 61.25 H new ATOM 0 HA SER A 109 -0.914 4.961 -13.254 1.00 42.31 H new ATOM 0 HB2 SER A 109 -0.640 6.957 -14.580 1.00 41.12 H new ATOM 0 HB3 SER A 109 -2.365 6.679 -14.447 1.00 41.12 H new ATOM 0 HG SER A 109 -1.799 8.893 -14.045 1.00 32.11 H new ATOM 1846 N PRO A 110 1.177 6.265 -12.283 1.00 63.41 N ATOM 1847 CA PRO A 110 2.318 6.810 -11.521 1.00 12.35 C ATOM 1848 C PRO A 110 2.193 8.325 -11.270 1.00 73.33 C ATOM 1849 O PRO A 110 2.657 8.846 -10.256 1.00 21.35 O ATOM 1850 CB PRO A 110 3.527 6.513 -12.421 1.00 12.51 C ATOM 1851 CG PRO A 110 3.092 5.372 -13.280 1.00 61.23 C ATOM 1852 CD PRO A 110 1.616 5.567 -13.506 1.00 73.30 C ATOM 0 HA PRO A 110 2.389 6.365 -10.528 1.00 12.35 H new ATOM 0 HB2 PRO A 110 3.795 7.381 -13.023 1.00 12.51 H new ATOM 0 HB3 PRO A 110 4.405 6.251 -11.830 1.00 12.51 H new ATOM 0 HG2 PRO A 110 3.635 5.365 -14.225 1.00 61.23 H new ATOM 0 HG3 PRO A 110 3.290 4.418 -12.792 1.00 61.23 H new ATOM 0 HD2 PRO A 110 1.420 6.159 -14.400 1.00 73.30 H new ATOM 0 HD3 PRO A 110 1.099 4.616 -13.634 1.00 73.30 H new ATOM 1860 N ASP A 111 1.561 9.031 -12.206 1.00 2.12 N ATOM 1861 CA ASP A 111 1.345 10.474 -12.071 1.00 20.12 C ATOM 1862 C ASP A 111 0.230 10.776 -11.061 1.00 72.01 C ATOM 1863 O ASP A 111 0.401 11.607 -10.163 1.00 44.21 O ATOM 1864 CB ASP A 111 1.022 11.080 -13.436 1.00 35.32 C ATOM 1865 CG ASP A 111 2.152 10.857 -14.426 1.00 20.21 C ATOM 1866 OD1 ASP A 111 3.236 11.436 -14.224 1.00 53.31 O ATOM 1867 OD2 ASP A 111 1.967 10.095 -15.396 1.00 74.14 O ATOM 0 H ASP A 111 1.189 8.629 -13.067 1.00 2.12 H new ATOM 0 HA ASP A 111 2.261 10.927 -11.692 1.00 20.12 H new ATOM 0 HB2 ASP A 111 0.105 10.637 -13.824 1.00 35.32 H new ATOM 0 HB3 ASP A 111 0.839 12.149 -13.326 1.00 35.32 H new ATOM 1872 N ASP A 112 -0.898 10.083 -11.206 1.00 45.55 N ATOM 1873 CA ASP A 112 -2.010 10.191 -10.258 1.00 34.12 C ATOM 1874 C ASP A 112 -1.558 9.781 -8.845 1.00 63.44 C ATOM 1875 O ASP A 112 -2.013 10.335 -7.839 1.00 21.24 O ATOM 1876 CB ASP A 112 -3.169 9.309 -10.738 1.00 55.14 C ATOM 1877 CG ASP A 112 -4.391 9.396 -9.847 1.00 30.23 C ATOM 1878 OD1 ASP A 112 -5.013 10.478 -9.785 1.00 42.34 O ATOM 1879 OD2 ASP A 112 -4.739 8.384 -9.203 1.00 42.12 O ATOM 0 H ASP A 112 -1.068 9.436 -11.976 1.00 45.55 H new ATOM 0 HA ASP A 112 -2.346 11.227 -10.211 1.00 34.12 H new ATOM 0 HB2 ASP A 112 -3.444 9.601 -11.751 1.00 55.14 H new ATOM 0 HB3 ASP A 112 -2.834 8.273 -10.785 1.00 55.14 H new ATOM 1884 N PHE A 113 -0.642 8.811 -8.787 1.00 22.04 N ATOM 1885 CA PHE A 113 -0.054 8.356 -7.523 1.00 2.21 C ATOM 1886 C PHE A 113 0.749 9.474 -6.841 1.00 72.54 C ATOM 1887 O PHE A 113 0.617 9.688 -5.636 1.00 22.22 O ATOM 1888 CB PHE A 113 0.841 7.129 -7.761 1.00 30.33 C ATOM 1889 CG PHE A 113 1.535 6.629 -6.517 1.00 44.44 C ATOM 1890 CD1 PHE A 113 0.835 5.919 -5.552 1.00 24.10 C ATOM 1891 CD2 PHE A 113 2.886 6.866 -6.316 1.00 11.32 C ATOM 1892 CE1 PHE A 113 1.471 5.460 -4.414 1.00 11.32 C ATOM 1893 CE2 PHE A 113 3.525 6.410 -5.181 1.00 51.10 C ATOM 1894 CZ PHE A 113 2.817 5.706 -4.229 1.00 33.05 C ATOM 0 H PHE A 113 -0.288 8.321 -9.609 1.00 22.04 H new ATOM 0 HA PHE A 113 -0.871 8.077 -6.858 1.00 2.21 H new ATOM 0 HB2 PHE A 113 0.235 6.324 -8.176 1.00 30.33 H new ATOM 0 HB3 PHE A 113 1.593 7.379 -8.509 1.00 30.33 H new ATOM 0 HD1 PHE A 113 -0.218 5.723 -5.692 1.00 24.10 H new ATOM 0 HD2 PHE A 113 3.446 7.415 -7.058 1.00 11.32 H new ATOM 0 HE1 PHE A 113 0.915 4.909 -3.670 1.00 11.32 H new ATOM 0 HE2 PHE A 113 4.578 6.604 -5.038 1.00 51.10 H new ATOM 0 HZ PHE A 113 3.315 5.348 -3.340 1.00 33.05 H new ATOM 1904 N LYS A 114 1.589 10.177 -7.608 1.00 22.42 N ATOM 1905 CA LYS A 114 2.374 11.297 -7.064 1.00 65.52 C ATOM 1906 C LYS A 114 1.472 12.333 -6.375 1.00 12.21 C ATOM 1907 O LYS A 114 1.685 12.684 -5.215 1.00 15.24 O ATOM 1908 CB LYS A 114 3.200 11.992 -8.164 1.00 43.52 C ATOM 1909 CG LYS A 114 4.346 11.150 -8.721 1.00 64.04 C ATOM 1910 CD LYS A 114 5.322 11.990 -9.552 1.00 2.13 C ATOM 1911 CE LYS A 114 4.688 12.534 -10.828 1.00 31.02 C ATOM 1912 NZ LYS A 114 4.436 11.460 -11.824 1.00 15.14 N ATOM 0 H LYS A 114 1.744 9.995 -8.600 1.00 22.42 H new ATOM 0 HA LYS A 114 3.054 10.873 -6.325 1.00 65.52 H new ATOM 0 HB2 LYS A 114 2.535 12.265 -8.983 1.00 43.52 H new ATOM 0 HB3 LYS A 114 3.609 12.919 -7.763 1.00 43.52 H new ATOM 0 HG2 LYS A 114 4.883 10.678 -7.898 1.00 64.04 H new ATOM 0 HG3 LYS A 114 3.941 10.348 -9.338 1.00 64.04 H new ATOM 0 HD2 LYS A 114 5.685 12.822 -8.948 1.00 2.13 H new ATOM 0 HD3 LYS A 114 6.189 11.382 -9.812 1.00 2.13 H new ATOM 0 HE2 LYS A 114 3.749 13.030 -10.584 1.00 31.02 H new ATOM 0 HE3 LYS A 114 5.342 13.288 -11.265 1.00 31.02 H new ATOM 0 HZ1 LYS A 114 3.814 11.822 -12.575 1.00 15.14 H new ATOM 0 HZ2 LYS A 114 5.339 11.154 -12.240 1.00 15.14 H new ATOM 0 HZ3 LYS A 114 3.979 10.652 -11.355 1.00 15.14 H new ATOM 1926 N LYS A 115 0.453 12.798 -7.094 1.00 42.42 N ATOM 1927 CA LYS A 115 -0.445 13.846 -6.590 1.00 43.11 C ATOM 1928 C LYS A 115 -1.213 13.396 -5.332 1.00 20.31 C ATOM 1929 O LYS A 115 -1.678 14.227 -4.549 1.00 3.13 O ATOM 1930 CB LYS A 115 -1.425 14.268 -7.690 1.00 15.45 C ATOM 1931 CG LYS A 115 -0.769 14.728 -9.000 1.00 33.10 C ATOM 1932 CD LYS A 115 0.105 15.981 -8.832 1.00 13.52 C ATOM 1933 CE LYS A 115 1.529 15.643 -8.395 1.00 3.02 C ATOM 1934 NZ LYS A 115 2.367 16.853 -8.195 1.00 24.52 N ATOM 0 H LYS A 115 0.224 12.467 -8.031 1.00 42.42 H new ATOM 0 HA LYS A 115 0.170 14.699 -6.304 1.00 43.11 H new ATOM 0 HB2 LYS A 115 -2.087 13.430 -7.907 1.00 15.45 H new ATOM 0 HB3 LYS A 115 -2.049 15.077 -7.310 1.00 15.45 H new ATOM 0 HG2 LYS A 115 -0.158 13.917 -9.397 1.00 33.10 H new ATOM 0 HG3 LYS A 115 -1.547 14.931 -9.736 1.00 33.10 H new ATOM 0 HD2 LYS A 115 0.137 16.527 -9.775 1.00 13.52 H new ATOM 0 HD3 LYS A 115 -0.351 16.643 -8.095 1.00 13.52 H new ATOM 0 HE2 LYS A 115 1.495 15.072 -7.467 1.00 3.02 H new ATOM 0 HE3 LYS A 115 1.994 15.004 -9.146 1.00 3.02 H new ATOM 0 HZ1 LYS A 115 3.103 16.653 -7.488 1.00 24.52 H new ATOM 0 HZ2 LYS A 115 2.815 17.118 -9.095 1.00 24.52 H new ATOM 0 HZ3 LYS A 115 1.771 17.637 -7.862 1.00 24.52 H new ATOM 1948 N SER A 116 -1.359 12.086 -5.154 1.00 64.10 N ATOM 1949 CA SER A 116 -1.974 11.530 -3.939 1.00 72.33 C ATOM 1950 C SER A 116 -0.952 11.444 -2.797 1.00 42.22 C ATOM 1951 O SER A 116 -1.169 11.978 -1.704 1.00 73.24 O ATOM 1952 CB SER A 116 -2.554 10.135 -4.219 1.00 3.25 C ATOM 1953 OG SER A 116 -3.097 9.554 -3.044 1.00 64.01 O ATOM 0 H SER A 116 -1.062 11.385 -5.832 1.00 64.10 H new ATOM 0 HA SER A 116 -2.780 12.199 -3.637 1.00 72.33 H new ATOM 0 HB2 SER A 116 -3.329 10.208 -4.982 1.00 3.25 H new ATOM 0 HB3 SER A 116 -1.773 9.488 -4.619 1.00 3.25 H new ATOM 0 HG SER A 116 -3.459 8.668 -3.255 1.00 64.01 H new ATOM 1959 N LEU A 117 0.174 10.784 -3.072 1.00 3.03 N ATOM 1960 CA LEU A 117 1.234 10.577 -2.076 1.00 13.44 C ATOM 1961 C LEU A 117 1.737 11.908 -1.488 1.00 34.24 C ATOM 1962 O LEU A 117 1.787 12.075 -0.268 1.00 25.42 O ATOM 1963 CB LEU A 117 2.407 9.809 -2.708 1.00 1.13 C ATOM 1964 CG LEU A 117 3.542 9.418 -1.743 1.00 65.34 C ATOM 1965 CD1 LEU A 117 3.040 8.432 -0.690 1.00 20.22 C ATOM 1966 CD2 LEU A 117 4.731 8.839 -2.509 1.00 40.41 C ATOM 0 H LEU A 117 0.379 10.379 -3.985 1.00 3.03 H new ATOM 0 HA LEU A 117 0.809 9.993 -1.260 1.00 13.44 H new ATOM 0 HB2 LEU A 117 2.017 8.901 -3.169 1.00 1.13 H new ATOM 0 HB3 LEU A 117 2.828 10.418 -3.508 1.00 1.13 H new ATOM 0 HG LEU A 117 3.878 10.319 -1.230 1.00 65.34 H new ATOM 0 HD11 LEU A 117 3.858 8.169 -0.019 1.00 20.22 H new ATOM 0 HD12 LEU A 117 2.234 8.890 -0.118 1.00 20.22 H new ATOM 0 HD13 LEU A 117 2.670 7.532 -1.181 1.00 20.22 H new ATOM 0 HD21 LEU A 117 5.520 8.570 -1.807 1.00 40.41 H new ATOM 0 HD22 LEU A 117 4.414 7.951 -3.056 1.00 40.41 H new ATOM 0 HD23 LEU A 117 5.108 9.582 -3.211 1.00 40.41 H new ATOM 1978 N GLU A 118 2.089 12.855 -2.361 1.00 60.54 N ATOM 1979 CA GLU A 118 2.615 14.163 -1.934 1.00 21.13 C ATOM 1980 C GLU A 118 1.661 14.886 -0.959 1.00 60.34 C ATOM 1981 O GLU A 118 2.078 15.771 -0.206 1.00 72.31 O ATOM 1982 CB GLU A 118 2.892 15.050 -3.162 1.00 61.32 C ATOM 1983 CG GLU A 118 3.986 14.511 -4.085 1.00 53.15 C ATOM 1984 CD GLU A 118 4.280 15.434 -5.264 1.00 5.14 C ATOM 1985 OE1 GLU A 118 5.012 16.430 -5.077 1.00 40.51 O ATOM 1986 OE2 GLU A 118 3.781 15.176 -6.379 1.00 75.41 O ATOM 0 H GLU A 118 2.021 12.744 -3.373 1.00 60.54 H new ATOM 0 HA GLU A 118 3.547 13.980 -1.400 1.00 21.13 H new ATOM 0 HB2 GLU A 118 1.970 15.160 -3.733 1.00 61.32 H new ATOM 0 HB3 GLU A 118 3.176 16.046 -2.821 1.00 61.32 H new ATOM 0 HG2 GLU A 118 4.900 14.364 -3.509 1.00 53.15 H new ATOM 0 HG3 GLU A 118 3.686 13.533 -4.462 1.00 53.15 H new ATOM 1993 N ARG A 119 0.381 14.507 -0.982 1.00 15.31 N ATOM 1994 CA ARG A 119 -0.613 15.040 -0.039 1.00 54.53 C ATOM 1995 C ARG A 119 -0.642 14.223 1.264 1.00 4.33 C ATOM 1996 O ARG A 119 -0.457 14.766 2.359 1.00 43.31 O ATOM 1997 CB ARG A 119 -2.009 15.040 -0.678 1.00 62.40 C ATOM 1998 CG ARG A 119 -2.180 16.069 -1.790 1.00 73.21 C ATOM 1999 CD ARG A 119 -3.559 15.977 -2.439 1.00 0.14 C ATOM 2000 NE ARG A 119 -4.643 16.015 -1.451 1.00 2.41 N ATOM 2001 CZ ARG A 119 -5.761 16.675 -1.604 1.00 12.33 C ATOM 2002 NH1 ARG A 119 -5.941 17.442 -2.630 1.00 60.10 N ATOM 2003 NH2 ARG A 119 -6.689 16.583 -0.707 1.00 34.24 N ATOM 0 H ARG A 119 0.004 13.830 -1.646 1.00 15.31 H new ATOM 0 HA ARG A 119 -0.324 16.063 0.202 1.00 54.53 H new ATOM 0 HB2 ARG A 119 -2.214 14.048 -1.080 1.00 62.40 H new ATOM 0 HB3 ARG A 119 -2.752 15.230 0.096 1.00 62.40 H new ATOM 0 HG2 ARG A 119 -2.035 17.070 -1.384 1.00 73.21 H new ATOM 0 HG3 ARG A 119 -1.411 15.917 -2.547 1.00 73.21 H new ATOM 0 HD2 ARG A 119 -3.683 16.800 -3.143 1.00 0.14 H new ATOM 0 HD3 ARG A 119 -3.627 15.053 -3.014 1.00 0.14 H new ATOM 0 HE ARG A 119 -4.516 15.491 -0.585 1.00 2.41 H new ATOM 0 HH11 ARG A 119 -5.206 17.537 -3.331 1.00 60.10 H new ATOM 0 HH12 ARG A 119 -6.818 17.952 -2.738 1.00 60.10 H new ATOM 0 HH21 ARG A 119 -6.547 15.997 0.116 1.00 34.24 H new ATOM 0 HH22 ARG A 119 -7.563 17.096 -0.823 1.00 34.24 H new ATOM 2017 N LEU A 120 -0.866 12.911 1.134 1.00 40.50 N ATOM 2018 CA LEU A 120 -0.986 12.011 2.293 1.00 21.50 C ATOM 2019 C LEU A 120 0.220 12.121 3.240 1.00 2.22 C ATOM 2020 O LEU A 120 0.064 12.081 4.463 1.00 15.10 O ATOM 2021 CB LEU A 120 -1.155 10.557 1.823 1.00 11.21 C ATOM 2022 CG LEU A 120 -2.405 10.283 0.971 1.00 1.23 C ATOM 2023 CD1 LEU A 120 -2.451 8.820 0.537 1.00 54.21 C ATOM 2024 CD2 LEU A 120 -3.674 10.664 1.732 1.00 31.53 C ATOM 0 H LEU A 120 -0.969 12.444 0.233 1.00 40.50 H new ATOM 0 HA LEU A 120 -1.870 12.319 2.851 1.00 21.50 H new ATOM 0 HB2 LEU A 120 -0.274 10.274 1.247 1.00 11.21 H new ATOM 0 HB3 LEU A 120 -1.184 9.910 2.700 1.00 11.21 H new ATOM 0 HG LEU A 120 -2.350 10.902 0.075 1.00 1.23 H new ATOM 0 HD11 LEU A 120 -3.343 8.647 -0.065 1.00 54.21 H new ATOM 0 HD12 LEU A 120 -1.564 8.587 -0.053 1.00 54.21 H new ATOM 0 HD13 LEU A 120 -2.478 8.180 1.419 1.00 54.21 H new ATOM 0 HD21 LEU A 120 -4.546 10.462 1.110 1.00 31.53 H new ATOM 0 HD22 LEU A 120 -3.738 10.078 2.649 1.00 31.53 H new ATOM 0 HD23 LEU A 120 -3.644 11.725 1.981 1.00 31.53 H new ATOM 2036 N ILE A 121 1.418 12.272 2.670 1.00 72.52 N ATOM 2037 CA ILE A 121 2.652 12.425 3.459 1.00 25.04 C ATOM 2038 C ILE A 121 2.522 13.533 4.519 1.00 33.11 C ATOM 2039 O ILE A 121 2.928 13.356 5.667 1.00 21.04 O ATOM 2040 CB ILE A 121 3.865 12.740 2.543 1.00 15.52 C ATOM 2041 CG1 ILE A 121 4.157 11.546 1.618 1.00 24.02 C ATOM 2042 CG2 ILE A 121 5.105 13.098 3.370 1.00 60.21 C ATOM 2043 CD1 ILE A 121 5.250 11.809 0.603 1.00 12.53 C ATOM 0 H ILE A 121 1.564 12.292 1.661 1.00 72.52 H new ATOM 0 HA ILE A 121 2.816 11.474 3.966 1.00 25.04 H new ATOM 0 HB ILE A 121 3.613 13.605 1.930 1.00 15.52 H new ATOM 0 HG12 ILE A 121 4.439 10.688 2.227 1.00 24.02 H new ATOM 0 HG13 ILE A 121 3.242 11.275 1.091 1.00 24.02 H new ATOM 0 HG21 ILE A 121 5.938 13.314 2.701 1.00 60.21 H new ATOM 0 HG22 ILE A 121 4.894 13.975 3.981 1.00 60.21 H new ATOM 0 HG23 ILE A 121 5.366 12.260 4.016 1.00 60.21 H new ATOM 0 HD11 ILE A 121 5.397 10.921 -0.011 1.00 12.53 H new ATOM 0 HD12 ILE A 121 4.962 12.646 -0.033 1.00 12.53 H new ATOM 0 HD13 ILE A 121 6.178 12.049 1.122 1.00 12.53 H new ATOM 2055 N ARG A 122 1.937 14.666 4.133 1.00 21.11 N ATOM 2056 CA ARG A 122 1.786 15.806 5.044 1.00 34.25 C ATOM 2057 C ARG A 122 0.687 15.564 6.090 1.00 61.03 C ATOM 2058 O ARG A 122 0.718 16.141 7.180 1.00 72.11 O ATOM 2059 CB ARG A 122 1.496 17.084 4.247 1.00 32.15 C ATOM 2060 CG ARG A 122 2.630 17.475 3.304 1.00 32.34 C ATOM 2061 CD ARG A 122 2.350 18.785 2.578 1.00 41.00 C ATOM 2062 NE ARG A 122 3.474 19.184 1.734 1.00 52.42 N ATOM 2063 CZ ARG A 122 3.714 20.409 1.352 1.00 61.22 C ATOM 2064 NH1 ARG A 122 2.908 21.371 1.669 1.00 1.41 N ATOM 2065 NH2 ARG A 122 4.757 20.664 0.634 1.00 75.21 N ATOM 0 H ARG A 122 1.560 14.822 3.198 1.00 21.11 H new ATOM 0 HA ARG A 122 2.726 15.925 5.583 1.00 34.25 H new ATOM 0 HB2 ARG A 122 0.583 16.944 3.668 1.00 32.15 H new ATOM 0 HB3 ARG A 122 1.311 17.903 4.942 1.00 32.15 H new ATOM 0 HG2 ARG A 122 3.556 17.567 3.871 1.00 32.34 H new ATOM 0 HG3 ARG A 122 2.782 16.681 2.572 1.00 32.34 H new ATOM 0 HD2 ARG A 122 1.455 18.678 1.966 1.00 41.00 H new ATOM 0 HD3 ARG A 122 2.146 19.569 3.307 1.00 41.00 H new ATOM 0 HE ARG A 122 4.115 18.455 1.422 1.00 52.42 H new ATOM 0 HH11 ARG A 122 2.074 21.176 2.223 1.00 1.41 H new ATOM 0 HH12 ARG A 122 3.107 22.324 1.364 1.00 1.41 H new ATOM 0 HH21 ARG A 122 5.390 19.910 0.367 1.00 75.21 H new ATOM 0 HH22 ARG A 122 4.948 21.620 0.333 1.00 75.21 H new ATOM 2079 N GLU A 123 -0.279 14.707 5.760 1.00 12.23 N ATOM 2080 CA GLU A 123 -1.368 14.367 6.685 1.00 31.21 C ATOM 2081 C GLU A 123 -0.919 13.365 7.761 1.00 23.41 C ATOM 2082 O GLU A 123 -1.296 13.485 8.932 1.00 61.21 O ATOM 2083 CB GLU A 123 -2.569 13.803 5.911 1.00 4.24 C ATOM 2084 CG GLU A 123 -3.262 14.829 5.020 1.00 51.23 C ATOM 2085 CD GLU A 123 -3.835 15.995 5.813 1.00 61.35 C ATOM 2086 OE1 GLU A 123 -4.954 15.856 6.356 1.00 35.44 O ATOM 2087 OE2 GLU A 123 -3.167 17.047 5.908 1.00 44.13 O ATOM 0 H GLU A 123 -0.332 14.233 4.858 1.00 12.23 H new ATOM 0 HA GLU A 123 -1.662 15.286 7.191 1.00 31.21 H new ATOM 0 HB2 GLU A 123 -2.234 12.968 5.296 1.00 4.24 H new ATOM 0 HB3 GLU A 123 -3.293 13.404 6.622 1.00 4.24 H new ATOM 0 HG2 GLU A 123 -2.551 15.207 4.286 1.00 51.23 H new ATOM 0 HG3 GLU A 123 -4.064 14.342 4.465 1.00 51.23 H new